CID 9570935

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

Structural Information

Molecular Formula
C25H25N3O6
SMILES
COC1=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/C25H25N3O6/c1-31-20-11-5-16(6-12-20)15-26-28-25(30)17-7-9-19(10-8-17)27-24(29)18-13-21(32-2)23(34-4)22(14-18)33-3/h5-15H,1-4H3,(H,27,29)(H,28,30)/b26-15+
InChIKey
GRJBZMHFNNFDEH-CVKSISIWSA-N
Compound name
3,4,5-trimethoxy-N-[4-[[(E)-(4-methoxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.17435 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.18163 210.9
[M+Na]+ 486.16357 215.2
[M-H]- 462.16707 221.8
[M+NH4]+ 481.20817 218.2
[M+K]+ 502.13751 213.5
[M+H-H2O]+ 446.17161 198.8
[M+HCOO]- 508.17255 236.6
[M+CH3COO]- 522.18820 244.9
[M+Na-2H]- 484.14902 211.9
[M]+ 463.17380 217.3
[M]- 463.17490 217.3
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.