CID 124203235

Serine hydrolase inhibitor-8

Structural Information

Molecular Formula
C17H24FN3O3
SMILES
CC(C)(C)OC(=O)N1CCCN(CC1)C(=O)NC2=CC=CC=C2F
InChI
InChI=1S/C17H24FN3O3/c1-17(2,3)24-16(23)21-10-6-9-20(11-12-21)15(22)19-14-8-5-4-7-13(14)18/h4-5,7-8H,6,9-12H2,1-3H3,(H,19,22)
InChIKey
SFQKLBVNPGCHHK-UHFFFAOYSA-N
Compound name
tert-butyl 4-[(2-fluorophenyl)carbamoyl]-1,4-diazepane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.18018 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.18746 175.1
[M+Na]+ 360.16940 177.8
[M-H]- 336.17290 178.3
[M+NH4]+ 355.21400 185.0
[M+K]+ 376.14334 180.7
[M+H-H2O]+ 320.17744 165.2
[M+HCOO]- 382.17838 188.9
[M+CH3COO]- 396.19403 210.7
[M+Na-2H]- 358.15485 176.0
[M]+ 337.17963 169.0
[M]- 337.18073 169.0
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.