CID 9570942

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

Structural Information

Molecular Formula
C25H25N3O5
SMILES
CC1=CC=C(C=C1)/C=N/NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C25H25N3O5/c1-16-5-7-17(8-6-16)15-26-28-25(30)18-9-11-20(12-10-18)27-24(29)19-13-21(31-2)23(33-4)22(14-19)32-3/h5-15H,1-4H3,(H,27,29)(H,28,30)/b26-15+
InChIKey
GZFSCURCCGSYMN-CVKSISIWSA-N
Compound name
3,4,5-trimethoxy-N-[4-[[(E)-(4-methylphenyl)methylideneamino]carbamoyl]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.1794 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.18668 208.7
[M+Na]+ 470.16862 213.4
[M-H]- 446.17212 219.7
[M+NH4]+ 465.21322 216.9
[M+K]+ 486.14256 210.8
[M+H-H2O]+ 430.17666 197.0
[M+HCOO]- 492.17760 234.3
[M+CH3COO]- 506.19325 242.6
[M+Na-2H]- 468.15407 209.5
[M]+ 447.17885 213.8
[M]- 447.17995 213.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.