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

3
Patents

294.0892 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.09648 165.3
[M+Na]+ 317.07842 173.9
[M-H]- 293.08192 171.0
[M+NH4]+ 312.12302 180.4
[M+K]+ 333.05236 169.4
[M+H-H2O]+ 277.08646 157.8
[M+HCOO]- 339.08740 185.0
[M+CH3COO]- 353.10305 200.0
[M+Na-2H]- 315.06387 169.6
[M]+ 294.08865 166.8
[M]- 294.08975 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