PubChemLite - Bms-180560 (C24H22ClN7O2)

Structural Information

Molecular Formula

SMILES

CCCCC1=NC(=C(N1CC2=C3C=CN(C3=CC=C2)C4=CC=CC=C4C5=NNN=N5)C(=O)O)Cl

InChI

InChI=1S/C24H22ClN7O2/c1-2-3-11-20-26-22(25)21(24(33)34)32(20)14-15-7-6-10-18-16(15)12-13-31(18)19-9-5-4-8-17(19)23-27-29-30-28-23/h4-10,12-13H,2-3,11,14H2,1H3,(H,33,34)(H,27,28,29,30)

InChIKey

AIGVXGCHRIOQNR-UHFFFAOYSA-N

Compound name

2-butyl-5-chloro-3-[[1-[2-(2H-tetrazol-5-yl)phenyl]indol-4-yl]methyl]imidazole-4-carboxylic acid

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	476.15962	209.1
[M+Na]+	498.14156	220.2
[M-H]-	474.14506	214.7
[M+NH4]+	493.18616	213.4
[M+K]+	514.11550	211.1
[M+H-H2O]+	458.14960	197.0
[M+HCOO]-	520.15054	219.6
[M+CH3COO]-	534.16619	216.5
[M+Na-2H]-	496.12701	204.8
[M]+	475.15179	215.9
[M]-	475.15289	215.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

476.15962

209.1

[M+Na]+

498.14156

220.2

[M-H]-

474.14506

214.7

[M+NH4]+

493.18616

213.4

[M+K]+

514.11550

211.1

[M+H-H2O]+

458.14960

197.0

[M+HCOO]-

520.15054

219.6

[M+CH3COO]-

534.16619

216.5

[M+Na-2H]-

496.12701

204.8

[M]+

475.15179

215.9

[M]-

475.15289

215.9

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Bms-180560

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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