CID 3055051

N-(p-(benzoyloxy)benzylidene)anthranilic acid

Structural Information

Molecular Formula
C21H17NO3
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)C=NC3=CC=CC=C3C(=O)O
InChI
InChI=1S/C21H17NO3/c23-21(24)19-8-4-5-9-20(19)22-14-16-10-12-18(13-11-16)25-15-17-6-2-1-3-7-17/h1-14H,15H2,(H,23,24)
InChIKey
HJPXPPNQDKJEEZ-UHFFFAOYSA-N
Compound name
2-[(4-phenylmethoxyphenyl)methylideneamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.12085 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.12813 178.0
[M+Na]+ 354.11007 183.8
[M-H]- 330.11357 187.4
[M+NH4]+ 349.15467 190.5
[M+K]+ 370.08401 178.8
[M+H-H2O]+ 314.11811 168.0
[M+HCOO]- 376.11905 202.2
[M+CH3COO]- 390.13470 211.0
[M+Na-2H]- 352.09552 182.5
[M]+ 331.12030 178.8
[M]- 331.12140 178.8
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.