CID 3020733

4-((2-hydroxy-1-naphthyl)methyl)salicylic acid

Structural Information

Molecular Formula
C18H14O4
SMILES
C1=CC=C2C(=C1)C=CC(=C2CC3=CC(=C(C=C3)C(=O)O)O)O
InChI
InChI=1S/C18H14O4/c19-16-8-6-12-3-1-2-4-13(12)15(16)9-11-5-7-14(18(21)22)17(20)10-11/h1-8,10,19-20H,9H2,(H,21,22)
InChIKey
KATSLVVXUQLRFK-UHFFFAOYSA-N
Compound name
2-hydroxy-4-[(2-hydroxynaphthalen-1-yl)methyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.0892 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.096476 165.5
[M+Na]+ 317.078418 173.6
[M-H]- 293.081924 169.8
[M+NH4]+ 312.123023 179.8
[M+K]+ 333.052358 168.3
[M+H-H2O]+ 277.086460 158.3
[M+HCOO]- 339.087401 183.6
[M+CH3COO]- 353.103051 197.8
[M+Na-2H]- 315.063866 169.4
[M]+ 294.08865142 165.2
[M]- 294.08974858 165.2
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.