PubChemLite - 164578-14-7 (C25H31N7O4)

Structural Information

Molecular Formula

SMILES

CCN(CC)CCCNC(=O)C1=CC=C(C=C1)N=NC(C(=O)C)C(=O)NC2=CC3=C(C=C2)NC(=O)N3

InChI

InChI=1S/C25H31N7O4/c1-4-32(5-2)14-6-13-26-23(34)17-7-9-18(10-8-17)30-31-22(16(3)33)24(35)27-19-11-12-20-21(15-19)29-25(36)28-20/h7-12,15,22H,4-6,13-14H2,1-3H3,(H,26,34)(H,27,35)(H2,28,29,36)

InChIKey

CLMHFPYRSACVJX-UHFFFAOYSA-N

Compound name

N-[3-(diethylamino)propyl]-4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butan-2-yl]diazenyl]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]+	494.25102	216.6
[M+Na]+	516.23296	218.0
[M-H]-	492.23646	222.9
[M+NH4]+	511.27756	222.1
[M+K]+	532.20690	215.6
[M+H-H2O]+	476.24100	205.1
[M+HCOO]-	538.24194	239.7
[M+CH3COO]-	552.25759	256.2
[M+Na-2H]-	514.21841	217.5
[M]+	493.24319	219.7
[M]-	493.24429	219.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

494.25102

216.6

[M+Na]+

516.23296

218.0

[M-H]-

492.23646

222.9

[M+NH4]+

511.27756

222.1

[M+K]+

532.20690

215.6

[M+H-H2O]+

476.24100

205.1

[M+HCOO]-

538.24194

239.7

[M+CH3COO]-

552.25759

256.2

[M+Na-2H]-

514.21841

217.5

[M]+

493.24319

219.7

[M]-

493.24429

219.7

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

164578-14-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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