CID 9570943

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

Structural Information

Molecular Formula
C24H22N4O7
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC=C(C=C2)C(=O)N/N=C/C3=CC=CC=C3[N+](=O)[O-]
InChI
InChI=1S/C24H22N4O7/c1-33-20-12-17(13-21(34-2)22(20)35-3)23(29)26-18-10-8-15(9-11-18)24(30)27-25-14-16-6-4-5-7-19(16)28(31)32/h4-14H,1-3H3,(H,26,29)(H,27,30)/b25-14+
InChIKey
HIPQZNNBFOERIC-AFUMVMLFSA-N
Compound name
3,4,5-trimethoxy-N-[4-[[(E)-(2-nitrophenyl)methylideneamino]carbamoyl]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.14883 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.15611 211.7
[M+Na]+ 501.13805 223.1
[M+NH4]+ 496.18265 215.2
[M+K]+ 517.11199 220.1
[M-H]- 477.14155 218.4
[M+Na-2H]- 499.12350 218.8
[M]+ 478.14828 214.7
[M]- 478.14938 214.7
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.