CID 9570951

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

Structural Information

Molecular Formula
C26H27N3O7
SMILES
COC1=C(C=C(C=C1)/C=N/NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC)OC
InChI
InChI=1S/C26H27N3O7/c1-32-20-11-6-16(12-21(20)33-2)15-27-29-26(31)17-7-9-19(10-8-17)28-25(30)18-13-22(34-3)24(36-5)23(14-18)35-4/h6-15H,1-5H3,(H,28,30)(H,29,31)/b27-15+
InChIKey
JFSPJGNRZYTGHJ-JFLMPSFJSA-N
Compound name
N-[4-[[(E)-(3,4-dimethoxyphenyl)methylideneamino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

493.1849 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.19218 217.8
[M+Na]+ 516.17412 222.2
[M-H]- 492.17762 228.9
[M+NH4]+ 511.21872 224.1
[M+K]+ 532.14806 221.4
[M+H-H2O]+ 476.18216 205.5
[M+HCOO]- 538.18310 243.3
[M+CH3COO]- 552.19875 251.4
[M+Na-2H]- 514.15957 217.9
[M]+ 493.18435 226.4
[M]- 493.18545 226.4
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.