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 186.5
[M+Na]+ 398.16619 190.5
[M-H]- 374.16969 188.5
[M+NH4]+ 393.21079 199.1
[M+K]+ 414.14013 190.9
[M+H-H2O]+ 358.17423 176.4
[M+HCOO]- 420.17517 205.3
[M+CH3COO]- 434.19082 229.3
[M+Na-2H]- 396.15164 187.3
[M]+ 375.17642 186.5
[M]- 375.17752 186.5
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.