PubChemLite - 5-chloro-n-[(e)-[1-(diethylaminomethyl)-2-oxo-indolin-3-ylidene]amino]-3-phenyl-1h-indole-2-carboxamide (C28H26ClN5O2)

Structural Information

Molecular Formula

SMILES

CCN(CC)CN1C2=CC=CC=C2C(=C1O)N=NC(=O)C3=C(C4=C(N3)C=CC(=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C28H26ClN5O2/c1-3-33(4-2)17-34-23-13-9-8-12-20(23)25(28(34)36)31-32-27(35)26-24(18-10-6-5-7-11-18)21-16-19(29)14-15-22(21)30-26/h5-16,30,36H,3-4,17H2,1-2H3

InChIKey

WSRWPHXKHQYVHX-UHFFFAOYSA-N

Compound name

5-chloro-N-[1-(diethylaminomethyl)-2-hydroxyindol-3-yl]imino-3-phenyl-1H-indole-2-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]+	500.18478	222.5
[M+Na]+	522.16672	231.5
[M-H]-	498.17022	234.3
[M+NH4]+	517.21132	232.9
[M+K]+	538.14066	224.1
[M+H-H2O]+	482.17476	211.9
[M+HCOO]-	544.17570	242.8
[M+CH3COO]-	558.19135	231.5
[M+Na-2H]-	520.15217	223.1
[M]+	499.17695	231.5
[M]-	499.17805	231.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

500.18478

222.5

[M+Na]+

522.16672

231.5

[M-H]-

498.17022

234.3

[M+NH4]+

517.21132

232.9

[M+K]+

538.14066

224.1

[M+H-H2O]+

482.17476

211.9

[M+HCOO]-

544.17570

242.8

[M+CH3COO]-

558.19135

231.5

[M+Na-2H]-

520.15217

223.1

[M]+

499.17695

231.5

[M]-

499.17805

231.5

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

5-chloro-n-[(e)-[1-(diethylaminomethyl)-2-oxo-indolin-3-ylidene]amino]-3-phenyl-1h-indole-2-carboxamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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