CID 160134

Clofibride

Structural Information

Molecular Formula
C16H22ClNO4
SMILES
CC(C)(C(=O)OCCCC(=O)N(C)C)OC1=CC=C(C=C1)Cl
InChI
InChI=1S/C16H22ClNO4/c1-16(2,22-13-9-7-12(17)8-10-13)15(20)21-11-5-6-14(19)18(3)4/h7-10H,5-6,11H2,1-4H3
InChIKey
CXQGFLBVUNUQIA-UHFFFAOYSA-N
Compound name
[4-(dimethylamino)-4-oxobutyl] 2-(4-chlorophenoxy)-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

10
References

1313
Patents

327.12375 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.131026 174.8
[M+Na]+ 350.112968 180.7
[M-H]- 326.116474 179.5
[M+NH4]+ 345.157573 190.2
[M+K]+ 366.086908 179.0
[M+H-H2O]+ 310.121010 168.8
[M+HCOO]- 372.121951 192.0
[M+CH3COO]- 386.137601 212.6
[M+Na-2H]- 348.098416 176.5
[M]+ 327.12320142 182.9
[M]- 327.12429858 182.9
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