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]+ 388.129196 190.6
[M+Na]+ 410.111138 193.5
[M-H]- 386.114644 200.8
[M+NH4]+ 405.155743 200.2
[M+K]+ 426.085078 190.2
[M+H-H2O]+ 370.119180 179.5
[M+HCOO]- 432.120121 216.5
[M+CH3COO]- 446.135771 225.4
[M+Na-2H]- 408.096586 194.7
[M]+ 387.12137142 190.3
[M]- 387.12246858 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.