CID 129318296

Ketoprofen 2-ethylhexyl ester

Structural Information

Molecular Formula
C24H30O3
SMILES
CCCCC(CC)COC(=O)C(C)C1=CC(=CC=C1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C24H30O3/c1-4-6-11-19(5-2)17-27-24(26)18(3)21-14-10-15-22(16-21)23(25)20-12-8-7-9-13-20/h7-10,12-16,18-19H,4-6,11,17H2,1-3H3
InChIKey
TZIZAVMQKWLAIE-UHFFFAOYSA-N
Compound name
2-ethylhexyl 2-(3-benzoylphenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.21948 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.226756 193.6
[M+Na]+ 389.208698 196.0
[M-H]- 365.212204 198.7
[M+NH4]+ 384.253303 205.2
[M+K]+ 405.182638 192.5
[M+H-H2O]+ 349.216740 184.6
[M+HCOO]- 411.217681 211.5
[M+CH3COO]- 425.233331 220.1
[M+Na-2H]- 387.194146 190.7
[M]+ 366.21893142 196.9
[M]- 366.22002858 196.9
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.