PubChemLite - 3-[(4-benzoylpiperazin-1-yl)(oxo)acetyl]-n-(1h-tetraazol-5-yl)-1h-indole-7-carboxamide- (C23H20N8O4)

Structural Information

Molecular Formula

SMILES

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C(=O)C3=CNC4=C3C=CC=C4C(=O)NC5=NNN=N5

InChI

InChI=1S/C23H20N8O4/c32-19(22(35)31-11-9-30(10-12-31)21(34)14-5-2-1-3-6-14)17-13-24-18-15(17)7-4-8-16(18)20(33)25-23-26-28-29-27-23/h1-8,13,24H,9-12H2,(H2,25,26,27,28,29,33)

InChIKey

XXLQILDVGDFIFI-UHFFFAOYSA-N

Compound name

3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-N-(2H-tetrazol-5-yl)-1H-indole-7-carboxamide

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]+	473.16802	201.8
[M+Na]+	495.14996	205.3
[M-H]-	471.15346	205.5
[M+NH4]+	490.19456	201.4
[M+K]+	511.12390	199.0
[M+H-H2O]+	455.15800	189.6
[M+HCOO]-	517.15894	210.3
[M+CH3COO]-	531.17459	206.3
[M+Na-2H]-	493.13541	199.9
[M]+	472.16019	197.4
[M]-	472.16129	197.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

473.16802

201.8

[M+Na]+

495.14996

205.3

[M-H]-

471.15346

205.5

[M+NH4]+

490.19456

201.4

[M+K]+

511.12390

199.0

[M+H-H2O]+

455.15800

189.6

[M+HCOO]-

517.15894

210.3

[M+CH3COO]-

531.17459

206.3

[M+Na-2H]-

493.13541

199.9

[M]+

472.16019

197.4

[M]-

472.16129

197.4

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

3-[(4-benzoylpiperazin-1-yl)(oxo)acetyl]-n-(1h-tetraazol-5-yl)-1h-indole-7-carboxamide-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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