PubChemLite - 5235-43-8 (C26H25N7O2)

Structural Information

Molecular Formula

SMILES

C1CN=C(N1)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)NC(=O)NC4=CC=C(C=C4)C5=NCCN5

InChI

InChI=1S/C26H25N7O2/c34-25(31-20-8-4-17(5-9-20)23-27-12-13-28-23)19-2-1-3-22(16-19)33-26(35)32-21-10-6-18(7-11-21)24-29-14-15-30-24/h1-11,16H,12-15H2,(H,27,28)(H,29,30)(H,31,34)(H2,32,33,35)

InChIKey

VXIUBJJSQYFWCA-UHFFFAOYSA-N

Compound name

N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]benzamide

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]+	468.21425	200.1
[M+Na]+	490.19619	201.4
[M-H]-	466.19969	208.8
[M+NH4]+	485.24079	202.6
[M+K]+	506.17013	194.0
[M+H-H2O]+	450.20423	187.5
[M+HCOO]-	512.20517	216.7
[M+CH3COO]-	526.22082	205.6
[M+Na-2H]-	488.18164	200.3
[M]+	467.20642	192.7
[M]-	467.20752	192.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

468.21425

200.1

[M+Na]+

490.19619

201.4

[M-H]-

466.19969

208.8

[M+NH4]+

485.24079

202.6

[M+K]+

506.17013

194.0

[M+H-H2O]+

450.20423

187.5

[M+HCOO]-

512.20517

216.7

[M+CH3COO]-

526.22082

205.6

[M+Na-2H]-

488.18164

200.3

[M]+

467.20642

192.7

[M]-

467.20752

192.7

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

5235-43-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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