CID 4401813

94712-32-0

Structural Information

Molecular Formula
C18H14O4
SMILES
COC1=CC=CC2=C(C(=CC(=C21)O)C(=O)O)C3=CC=CC=C3
InChI
InChI=1S/C18H14O4/c1-22-15-9-5-8-12-16(11-6-3-2-4-7-11)13(18(20)21)10-14(19)17(12)15/h2-10,19H,1H3,(H,20,21)
InChIKey
GTALHGSRIPHFRL-UHFFFAOYSA-N
Compound name
4-hydroxy-5-methoxy-1-phenylnaphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

294.0892 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.096476 165.3
[M+Na]+ 317.078418 173.9
[M-H]- 293.081924 171.0
[M+NH4]+ 312.123023 180.4
[M+K]+ 333.052358 169.4
[M+H-H2O]+ 277.086460 157.8
[M+HCOO]- 339.087401 185.0
[M+CH3COO]- 353.103051 200.0
[M+Na-2H]- 315.063866 169.6
[M]+ 294.08865142 166.8
[M]- 294.08974858 166.8
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

patents stripe