PubChemLite - Benzoic acid, p-(3,4,5-trimethoxybenzamido)-, 2-cinnamylidenehydrazide (C26H25N3O5)

Structural Information

Molecular Formula

SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC=C(C=C2)C(=O)N/N=C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C26H25N3O5/c1-32-22-16-20(17-23(33-2)24(22)34-3)25(30)28-21-13-11-19(12-14-21)26(31)29-27-15-7-10-18-8-5-4-6-9-18/h4-17H,1-3H3,(H,28,30)(H,29,31)/b10-7+,27-15+

InChIKey

NQGDUFRKRATFHH-FJOXFRJOSA-N

Compound name

3,4,5-trimethoxy-N-[4-[[(E)-[(E)-3-phenylprop-2-enylidene]amino]carbamoyl]phenyl]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]+	460.18668	211.7
[M+Na]+	482.16862	215.5
[M-H]-	458.17212	222.2
[M+NH4]+	477.21322	219.1
[M+K]+	498.14256	211.9
[M+H-H2O]+	442.17666	199.7
[M+HCOO]-	504.17760	237.2
[M+CH3COO]-	518.19325	242.9
[M+Na-2H]-	480.15407	212.8
[M]+	459.17885	216.0
[M]-	459.17995	216.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

460.18668

211.7

[M+Na]+

482.16862

215.5

[M-H]-

458.17212

222.2

[M+NH4]+

477.21322

219.1

[M+K]+

498.14256

211.9

[M+H-H2O]+

442.17666

199.7

[M+HCOO]-

504.17760

237.2

[M+CH3COO]-

518.19325

242.9

[M+Na-2H]-

480.15407

212.8

[M]+

459.17885

216.0

[M]-

459.17995

216.0

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

Benzoic acid, p-(3,4,5-trimethoxybenzamido)-, 2-cinnamylidenehydrazide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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