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
2
Annotation Hits

0
References

5123
Patents

249.17288 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.180156 162.3
[M+Na]+ 272.162098 166.3
[M-H]- 248.165604 163.9
[M+NH4]+ 267.206703 178.5
[M+K]+ 288.136038 164.0
[M+H-H2O]+ 232.170140 155.7
[M+HCOO]- 294.171081 182.0
[M+CH3COO]- 308.186731 198.0
[M+Na-2H]- 270.147546 162.6
[M]+ 249.17233142 162.3
[M]- 249.17342858 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