CID 362070

Nsc625593

Structural Information

Molecular Formula
C21H20O4
SMILES
CC(C1=CC=CC=C1)C2=C(C3=C(C=CC(=C3C=C2)OC)OC)C(=O)O
InChI
InChI=1S/C21H20O4/c1-13(14-7-5-4-6-8-14)15-9-10-16-17(24-2)11-12-18(25-3)19(16)20(15)21(22)23/h4-13H,1-3H3,(H,22,23)
InChIKey
OUSUNIIAWDSDOD-UHFFFAOYSA-N
Compound name
5,8-dimethoxy-2-(1-phenylethyl)naphthalene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.13617 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.14345 178.9
[M+Na]+ 359.12539 186.1
[M-H]- 335.12889 185.4
[M+NH4]+ 354.16999 192.7
[M+K]+ 375.09933 182.4
[M+H-H2O]+ 319.13343 170.5
[M+HCOO]- 381.13437 197.9
[M+CH3COO]- 395.15002 212.1
[M+Na-2H]- 357.11084 180.7
[M]+ 336.13562 182.5
[M]- 336.13672 182.5
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.