CID 5272191

4-[(e)-[2-(1-naphthyl)-2-oxo-ethylidene]amino]benzoic acid

Structural Information

Molecular Formula
C19H13NO3
SMILES
C1=CC=C2C(=C1)C=CC=C2C(=O)C=NC3=CC=C(C=C3)C(=O)O
InChI
InChI=1S/C19H13NO3/c21-18(12-20-15-10-8-14(9-11-15)19(22)23)17-7-3-5-13-4-1-2-6-16(13)17/h1-12H,(H,22,23)
InChIKey
ITTIIESLTPNOMG-UHFFFAOYSA-N
Compound name
4-[(2-naphthalen-1-yl-2-oxoethylidene)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

303.08954 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.09682 168.3
[M+Na]+ 326.07876 175.0
[M-H]- 302.08226 175.8
[M+NH4]+ 321.12336 183.2
[M+K]+ 342.05270 170.5
[M+H-H2O]+ 286.08680 159.8
[M+HCOO]- 348.08774 190.9
[M+CH3COO]- 362.10339 206.9
[M+Na-2H]- 324.06421 173.6
[M]+ 303.08899 168.7
[M]- 303.09009 168.7
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.