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]+ 345.123376 180.5
[M+Na]+ 367.105318 184.1
[M-H]- 343.108824 189.5
[M+NH4]+ 362.149923 191.5
[M+K]+ 383.079258 179.8
[M+H-H2O]+ 327.113360 170.4
[M+HCOO]- 389.114301 203.8
[M+CH3COO]- 403.129951 215.4
[M+Na-2H]- 365.090766 184.0
[M]+ 344.11555142 178.3
[M]- 344.11664858 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.