CID 242043

60049-54-9

Structural Information

Molecular Formula
C19H16O3
SMILES
COC1=CC=C(C2=CC=CC=C21)CC3=CC=CC=C3C(=O)O
InChI
InChI=1S/C19H16O3/c1-22-18-11-10-14(15-7-4-5-9-17(15)18)12-13-6-2-3-8-16(13)19(20)21/h2-11H,12H2,1H3,(H,20,21)
InChIKey
DZLDQAMPFVLWLG-UHFFFAOYSA-N
Compound name
2-[(4-methoxynaphthalen-1-yl)methyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

292.10995 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.11723 167.3
[M+Na]+ 315.09917 183.1
[M+NH4]+ 310.14377 176.0
[M+K]+ 331.07311 174.8
[M-H]- 291.10267 172.3
[M+Na-2H]- 313.08462 176.2
[M]+ 292.10940 171.1
[M]- 292.11050 171.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe