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 192.3
[M+Na]+ 410.11114 203.7
[M+NH4]+ 405.15574 197.7
[M+K]+ 426.08508 196.9
[M-H]- 386.11464 198.6
[M+Na-2H]- 408.09659 202.1
[M]+ 387.12137 195.3
[M]- 387.12247 195.3
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.