CID 710083

2-(2-hydroxy-1-naphthylmethyleneamino)benzoic acid

Structural Information

Molecular Formula
C18H13NO3
SMILES
C1=CC=C2C(=C1)C=CC(=C2C=NC3=CC=CC=C3C(=O)O)O
InChI
InChI=1S/C18H13NO3/c20-17-10-9-12-5-1-2-6-13(12)15(17)11-19-16-8-4-3-7-14(16)18(21)22/h1-11,20H,(H,21,22)
InChIKey
QDRLBGYTPRZOPP-UHFFFAOYSA-N
Compound name
2-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

14
Patents

291.08954 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.09682 164.8
[M+Na]+ 314.07876 172.5
[M-H]- 290.08226 171.4
[M+NH4]+ 309.12336 180.1
[M+K]+ 330.05270 167.5
[M+H-H2O]+ 274.08680 156.8
[M+HCOO]- 336.08774 187.0
[M+CH3COO]- 350.10339 202.7
[M+Na-2H]- 312.06421 170.6
[M]+ 291.08899 164.8
[M]- 291.09009 164.8
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.