CID 71261

Mabuprofen

Structural Information

Molecular Formula
C15H23NO2
SMILES
CC(C)CC1=CC=C(C=C1)C(C)C(=O)NCCO
InChI
InChI=1S/C15H23NO2/c1-11(2)10-13-4-6-14(7-5-13)12(3)15(18)16-8-9-17/h4-7,11-12,17H,8-10H2,1-3H3,(H,16,18)
InChIKey
JVGUNCHERKJFCM-UHFFFAOYSA-N
Compound name
N-(2-hydroxyethyl)-2-[4-(2-methylpropyl)phenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4954
Patents

249.17288 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.18016 162.3
[M+Na]+ 272.16210 166.3
[M-H]- 248.16560 163.9
[M+NH4]+ 267.20670 178.5
[M+K]+ 288.13604 164.0
[M+H-H2O]+ 232.17014 155.7
[M+HCOO]- 294.17108 182.0
[M+CH3COO]- 308.18673 198.0
[M+Na-2H]- 270.14755 162.6
[M]+ 249.17233 162.3
[M]- 249.17343 162.3
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