CID 9588919

1,2-benzenedicarboxylic acid, mono((phenylmethylene)hydrazide)

Structural Information

Molecular Formula
C15H12N2O3
SMILES
C1=CC=C(C=C1)/C=N/NC(=O)C2=CC=CC=C2C(=O)O
InChI
InChI=1S/C15H12N2O3/c18-14(12-8-4-5-9-13(12)15(19)20)17-16-10-11-6-2-1-3-7-11/h1-10H,(H,17,18)(H,19,20)/b16-10+
InChIKey
JLCSXGCJCSITQE-MHWRWJLKSA-N
Compound name
2-[[(E)-benzylideneamino]carbamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.08478 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.09206 159.3
[M+Na]+ 291.07400 164.8
[M-H]- 267.07750 165.9
[M+NH4]+ 286.11860 174.3
[M+K]+ 307.04794 161.6
[M+H-H2O]+ 251.08204 150.9
[M+HCOO]- 313.08298 184.6
[M+CH3COO]- 327.09863 200.3
[M+Na-2H]- 289.05945 164.5
[M]+ 268.08423 158.3
[M]- 268.08533 158.3
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.