CID 124203234

Serine hydrolase inhibitor-6

Structural Information

Molecular Formula
C17H24F3N3O3
SMILES
CC(C)(C)OC(=O)N(C)CCN(C)C(=O)NC1=CC=C(C=C1)C(F)(F)F
InChI
InChI=1S/C17H24F3N3O3/c1-16(2,3)26-15(25)23(5)11-10-22(4)14(24)21-13-8-6-12(7-9-13)17(18,19)20/h6-9H,10-11H2,1-5H3,(H,21,24)
InChIKey
XDOBWZXGKJLKIY-UHFFFAOYSA-N
Compound name
tert-butyl N-methyl-N-[2-[methyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.17697 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.18425 185.3
[M+Na]+ 398.16619 188.8
[M+NH4]+ 393.21079 187.3
[M+K]+ 414.14013 186.9
[M-H]- 374.16969 181.2
[M+Na-2H]- 396.15164 186.3
[M]+ 375.17642 184.0
[M]- 375.17752 184.0
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.