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]+ 295.09648 165.5
[M+Na]+ 317.07842 173.6
[M-H]- 293.08192 169.8
[M+NH4]+ 312.12302 179.8
[M+K]+ 333.05236 168.3
[M+H-H2O]+ 277.08646 158.3
[M+HCOO]- 339.08740 183.6
[M+CH3COO]- 353.10305 197.8
[M+Na-2H]- 315.06387 169.4
[M]+ 294.08865 165.2
[M]- 294.08975 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.