PubChemLite - Nsc679493 (C25H24N4O3)

Structural Information

Molecular Formula

SMILES

CC1=CC=C(C=C1)N=N/C(=N\NC(=O)C2=CC=CC=C2)/C3=CC(=C(C=C3)OCC=C)OC

InChI

InChI=1S/C25H24N4O3/c1-4-16-32-22-15-12-20(17-23(22)31-3)24(27-26-21-13-10-18(2)11-14-21)28-29-25(30)19-8-6-5-7-9-19/h4-15,17H,1,16H2,2-3H3,(H,29,30)/b27-26?,28-24-

InChIKey

IVVRXLWINIYWNP-AFWWLGEOSA-N

Compound name

N-[(Z)-[(3-methoxy-4-prop-2-enoxyphenyl)-[(4-methylphenyl)diazenyl]methylidene]amino]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]+	429.19212	205.5
[M+Na]+	451.17406	209.3
[M-H]-	427.17756	218.4
[M+NH4]+	446.21866	215.1
[M+K]+	467.14800	205.9
[M+H-H2O]+	411.18210	193.0
[M+HCOO]-	473.18304	235.0
[M+CH3COO]-	487.19869	243.9
[M+Na-2H]-	449.15951	208.8
[M]+	428.18429	209.2
[M]-	428.18539	209.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

429.19212

205.5

[M+Na]+

451.17406

209.3

[M-H]-

427.17756

218.4

[M+NH4]+

446.21866

215.1

[M+K]+

467.14800

205.9

[M+H-H2O]+

411.18210

193.0

[M+HCOO]-

473.18304

235.0

[M+CH3COO]-

487.19869

243.9

[M+Na-2H]-

449.15951

208.8

[M]+

428.18429

209.2

[M]-

428.18539

209.2

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

Nsc679493

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe