CID 362101

Nsc625629

Structural Information

Molecular Formula
C20H18O4
SMILES
COC1=C2C=CC(=C(C2=C(C=C1)OC)C(=O)O)CC3=CC=CC=C3
InChI
InChI=1S/C20H18O4/c1-23-16-10-11-17(24-2)19-15(16)9-8-14(18(19)20(21)22)12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,21,22)
InChIKey
GHXOMXYHZBZUIJ-UHFFFAOYSA-N
Compound name
2-benzyl-5,8-dimethoxynaphthalene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.1205 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.12778 174.5
[M+Na]+ 345.10972 182.6
[M-H]- 321.11322 181.2
[M+NH4]+ 340.15432 189.1
[M+K]+ 361.08366 178.5
[M+H-H2O]+ 305.11776 166.2
[M+HCOO]- 367.11870 194.9
[M+CH3COO]- 381.13435 208.3
[M+Na-2H]- 343.09517 178.1
[M]+ 322.11995 178.4
[M]- 322.12105 178.4
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.