CID 2796167

Serine hydrolase inhibitor-4

Structural Information

Molecular Formula
C17H22F3N3O3
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C(=O)NC2=CC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C17H22F3N3O3/c1-16(2,3)26-15(25)23-10-8-22(9-11-23)14(24)21-13-6-4-12(5-7-13)17(18,19)20/h4-7H,8-11H2,1-3H3,(H,21,24)
InChIKey
FSOGYZYWLXHRLD-UHFFFAOYSA-N
Compound name
tert-butyl 4-[[4-(trifluoromethyl)phenyl]carbamoyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

373.16132 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.16860 186.5
[M+Na]+ 396.15054 190.9
[M-H]- 372.15404 185.8
[M+NH4]+ 391.19514 195.4
[M+K]+ 412.12448 187.9
[M+H-H2O]+ 356.15858 175.3
[M+HCOO]- 418.15952 196.6
[M+CH3COO]- 432.17517 216.0
[M+Na-2H]- 394.13599 187.3
[M]+ 373.16077 180.2
[M]- 373.16187 180.2
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

patents stripe