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Cetirizine methanol adduct

View entire compound with spectra: 11 MS (GC)

Cetirizine methanol adduct
SpectraBase Compound ID 6xkgQwjwzS
InChI InChI=1S/C22H27ClN2O3/c1-27-21(26)17-28-16-15-24-11-13-25(14-12-24)22(18-5-3-2-4-6-18)19-7-9-20(23)10-8-19/h2-10,22H,11-17H2,1H3
InChIKey BYCHNMFDSQCCDD-UHFFFAOYSA-N
Mol Weight 402.92 g/mol
Molecular Formula C22H27ClN2O3
Exact Mass 402.17102 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4JbYmTGlPro
Name Methyl (2-(4-[(4-chlorophenyl)(phenyl)methyl]-1-piperazinyl)ethoxy)acetate
Alternate Name(s) 2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino]ethoxy]acetic acid methyl ester 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]ethoxy]acetic acid methyl ester Cetirizine Methanol Adduct Methyl 2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]ethoxy]acetate Methyl 2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]ethoxy]ethanoate
CAS Registry Number 83881-46-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H27ClN2O3
InChI InChI=1S/C22H27ClN2O3/c1-27-21(26)17-28-16-15-24-11-13-25(14-12-24)22(18-5-3-2-4-6-18)19-7-9-20(23)10-8-19/h2-10,22H,11-17H2,1H3
InChIKey BYCHNMFDSQCCDD-UHFFFAOYSA-N
Molecular Weight 402.922 g/mol
SMILES c1cccc(C(N2CCN(CC2)CCOCC(=O)OC)c2ccc(Cl)cc2)c1
SPLASH splash10-0uxr-8890000000-bb6f500552f8393969f2
Wiley ID 1509609