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3',5'-O-Diacetyl-N4-(N6-benzoyl-6-aminopyridin-2-yl)-2'-deoxycytidine
SpectraBase Compound ID KqdKk308NWN
InChI InChI=1S/C25H25N5O7/c1-15(31)35-14-19-18(36-16(2)32)13-23(37-19)30-12-11-22(29-25(30)34)27-20-9-6-10-21(26-20)28-24(33)17-7-4-3-5-8-17/h3-12,18-19,23H,13-14H2,1-2H3,(H2,26,27,28,29,33,34)/t18-,19+,23+/m0/s1
InChIKey XTQDQMRDLCBJSB-YCRNBWNJSA-N
Mol Weight 507.5 g/mol
Molecular Formula C25H25N5O7
Exact Mass 507.175398 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID INFejtrQcU6
Name 3',5'-O-Diacetyl-N4-(N6-benzoyl-6-aminopyridin-2-yl)-2'-deoxycytidine
Alternate Name(s) [(2R,3S,5R)-3-(acetyloxy)-5-{4-[(6-benzamidopyridin-2-yl)amino]-2-oxo-1,2-dihydropyrimidin-1-yl}oxolan-2-yl]methyl acetate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H25N5O7
InChI InChI=1S/C25H25N5O7/c1-15(31)35-14-19-18(36-16(2)32)13-23(37-19)30-12-11-22(29-25(30)34)27-20-9-6-10-21(26-20)28-24(33)17-7-4-3-5-8-17/h3-12,18-19,23H,13-14H2,1-2H3,(H2,26,27,28,29,33,34)/t18-,19+,23+/m0/s1
InChIKey XTQDQMRDLCBJSB-YCRNBWNJSA-N
Molecular Weight 507.503 g/mol
SMILES N(C=1C=CN(C(N1)=O)[C@@]1(O[C@](COC(=O)C)([C@](C1)(OC(=O)C)[H])[H])[H])c1nc(NC(=O)c2ccccc2)ccc1
SPLASH splash10-0a4i-0009000000-50b3f5b00b859c22f2da
Source of Spectrum QA-46-757-5
Wiley ID 863228