CID 9587884

Brn 2794651

Structural Information

Molecular Formula
C25H22N4O5
SMILES
CC(=O)NC1=CC=C(C=C1)C(=O)N/N=C/C2=CC(=CC=C2)OC(=O)C3=CC=C(C=C3)NC(=O)C
InChI
InChI=1S/C25H22N4O5/c1-16(30)27-21-10-6-19(7-11-21)24(32)29-26-15-18-4-3-5-23(14-18)34-25(33)20-8-12-22(13-9-20)28-17(2)31/h3-15H,1-2H3,(H,27,30)(H,28,31)(H,29,32)/b26-15+
InChIKey
SWYYWMXNQVFZGQ-CVKSISIWSA-N
Compound name
[3-[(E)-[(4-acetamidobenzoyl)hydrazinylidene]methyl]phenyl] 4-acetamidobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.15903 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.16631 209.3
[M+Na]+ 481.14825 211.4
[M-H]- 457.15175 219.7
[M+NH4]+ 476.19285 215.9
[M+K]+ 497.12219 209.1
[M+H-H2O]+ 441.15629 197.6
[M+HCOO]- 503.15723 234.4
[M+CH3COO]- 517.17288 244.7
[M+Na-2H]- 479.13370 210.1
[M]+ 458.15848 210.3
[M]- 458.15958 210.3
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.