4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-9-chloro-5H-pyrimido[5,4-b]indole

SpectraBase Compound ID	c9vDteV8JP
InChI	InChI=1S/C22H20ClN5O2/c23-15-2-1-3-16-19(15)20-21(26-16)22(25-12-24-20)28-8-6-27(7-9-28)11-14-4-5-17-18(10-14)30-13-29-17/h1-5,10,12,26H,6-9,11,13H2
InChIKey	FHKBMNIGOQPYES-UHFFFAOYSA-N Google Search
Mol Weight	421.89 g/mol
Molecular Formula	C22H20ClN5O2
Exact Mass	421.130553 g/mol

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SpectraBase Spectrum ID	FAQExNILNOc
Name	4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-9-chloro-5H-pyrimido[5,4-b]indole
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C22H20ClN5O2/c23-15-2-1-3-16-19(15)20-21(26-16)22(25-12-24-20)28-8-6-27(7-9-28)11-14-4-5-17-18(10-14)30-13-29-17/h1-5,10,12,26H,6-9,11,13H2
InChIKey	FHKBMNIGOQPYES-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_3952
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: E00026; Labnumber: SIMAK-02064; SBI_ID: SBI-003954
Temperature	318 °C