CID 910800

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

Structural Information

Molecular Formula
C21H16N2O3
SMILES
C1=CC=C(C=C1)C(=NNC(=O)C2=CC=CC=C2C(=O)O)C3=CC=CC=C3
InChI
InChI=1S/C21H16N2O3/c24-20(17-13-7-8-14-18(17)21(25)26)23-22-19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H,(H,23,24)(H,25,26)
InChIKey
JSBWNKCZWATLDM-UHFFFAOYSA-N
Compound name
2-[(benzhydrylideneamino)carbamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.1161 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.12338 180.5
[M+Na]+ 367.10532 184.1
[M-H]- 343.10882 189.5
[M+NH4]+ 362.14992 191.5
[M+K]+ 383.07926 179.8
[M+H-H2O]+ 327.11336 170.4
[M+HCOO]- 389.11430 203.8
[M+CH3COO]- 403.12995 215.4
[M+Na-2H]- 365.09077 184.0
[M]+ 344.11555 178.3
[M]- 344.11665 178.3
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.