CID 45054981

2-(((2-(3,4-dimethoxybenzylidene)hydrazino)(oxo)acetyl)amino)-n-phenylbenzamide

Structural Information

Molecular Formula
C24H22N4O5
SMILES
COC1=C(C=C(C=C1)/C=N/NC(=O)C(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3)OC
InChI
InChI=1S/C24H22N4O5/c1-32-20-13-12-16(14-21(20)33-2)15-25-28-24(31)23(30)27-19-11-7-6-10-18(19)22(29)26-17-8-4-3-5-9-17/h3-15H,1-2H3,(H,26,29)(H,27,30)(H,28,31)/b25-15+
InChIKey
PIDVNUJXZLJRFP-MFKUBSTISA-N
Compound name
N'-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.15903 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.16631 205.5
[M+Na]+ 469.14825 208.0
[M-H]- 445.15175 215.9
[M+NH4]+ 464.19285 212.7
[M+K]+ 485.12219 205.8
[M+H-H2O]+ 429.15629 193.6
[M+HCOO]- 491.15723 231.7
[M+CH3COO]- 505.17288 241.5
[M+Na-2H]- 467.13370 207.9
[M]+ 446.15848 207.3
[M]- 446.15958 207.3
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.