CID 72158

Vedaprofen

Structural Information

Molecular Formula

C₁₉H₂₂O₂

SMILES

CC(C1=CC=C(C2=CC=CC=C21)C3CCCCC3)C(=O)O

InChI

InChI=1S/C19H22O2/c1-13(19(20)21)15-11-12-16(14-7-3-2-4-8-14)18-10-6-5-9-17(15)18/h5-6,9-14H,2-4,7-8H2,1H3,(H,20,21)

InChIKey

VZUGVMQFWFVFBX-UHFFFAOYSA-N

Compound name

2-(4-cyclohexylnaphthalen-1-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 17
References: 397
Patents: 282.162 Da
Monoisotopic Mass: 5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	283.16928	166.9
[M+Na]+	305.15122	170.5
[M-H]-	281.15472	171.8
[M+NH4]+	300.19582	182.3
[M+K]+	321.12516	166.0
[M+H-H2O]+	265.15926	159.2
[M+HCOO]-	327.16020	182.0
[M+CH3COO]-	341.17585	200.5
[M+Na-2H]-	303.13667	168.1
[M]+	282.16145	161.8
[M]-	282.16255	161.8

Literature stripe

literature stripe

Patent stripe

patents stripe