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]+ 337.143446 178.9
[M+Na]+ 359.125388 186.1
[M-H]- 335.128894 185.4
[M+NH4]+ 354.169993 192.7
[M+K]+ 375.099328 182.4
[M+H-H2O]+ 319.133430 170.5
[M+HCOO]- 381.134371 197.9
[M+CH3COO]- 395.150021 212.1
[M+Na-2H]- 357.110836 180.7
[M]+ 336.13562142 182.5
[M]- 336.13671858 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.