CID 787062

4-(2-hydroxy-1-naphthylmethyleneamino)benzoic acid

Structural Information

Molecular Formula
C18H13NO3
SMILES
C1=CC=C2C(=C1)C=CC(=C2C=NC3=CC=C(C=C3)C(=O)O)O
InChI
InChI=1S/C18H13NO3/c20-17-10-7-12-3-1-2-4-15(12)16(17)11-19-14-8-5-13(6-9-14)18(21)22/h1-11,20H,(H,21,22)
InChIKey
VZEJBHQYZBEMMM-UHFFFAOYSA-N
Compound name
4-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

4
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 166.3
[M+Na]+ 314.07876 181.1
[M+NH4]+ 309.12336 174.4
[M+K]+ 330.05270 173.2
[M-H]- 290.08226 171.3
[M+Na-2H]- 312.06421 175.0
[M]+ 291.08899 169.8
[M]- 291.09009 169.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe