CID 51060651

881463-67-8

Structural Information

Molecular Formula
C22H17N3O4
SMILES
C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C(=O)NC3=CC=CC=C3
InChI
InChI=1S/C22H17N3O4/c26-20(24-18-9-5-2-6-10-18)21(27)25-23-15-16-11-13-19(14-12-16)29-22(28)17-7-3-1-4-8-17/h1-15H,(H,24,26)(H,25,27)/b23-15+
InChIKey
PWBWGOADQMIOTB-HZHRSRAPSA-N
Compound name
[4-[(E)-[(2-anilino-2-oxoacetyl)hydrazinylidene]methyl]phenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.12192 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.12920 190.6
[M+Na]+ 410.11114 193.5
[M-H]- 386.11464 200.8
[M+NH4]+ 405.15574 200.2
[M+K]+ 426.08508 190.2
[M+H-H2O]+ 370.11918 179.5
[M+HCOO]- 432.12012 216.5
[M+CH3COO]- 446.13577 225.4
[M+Na-2H]- 408.09659 194.7
[M]+ 387.12137 190.3
[M]- 387.12247 190.3
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.