CID 17454090

Serine hydrolase inhibitor-7

Structural Information

Molecular Formula
C16H22FN3O3
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C(=O)NC2=CC=CC=C2F
InChI
InChI=1S/C16H22FN3O3/c1-16(2,3)23-15(22)20-10-8-19(9-11-20)14(21)18-13-7-5-4-6-12(13)17/h4-7H,8-11H2,1-3H3,(H,18,21)
InChIKey
RFQKWAKIXLZEEV-UHFFFAOYSA-N
Compound name
tert-butyl 4-[(2-fluorophenyl)carbamoyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.16452 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.17180 176.8
[M+Na]+ 346.15374 181.0
[M-H]- 322.15724 178.7
[M+NH4]+ 341.19834 187.8
[M+K]+ 362.12768 178.6
[M+H-H2O]+ 306.16178 166.9
[M+HCOO]- 368.16272 191.0
[M+CH3COO]- 382.17837 207.8
[M+Na-2H]- 344.13919 178.1
[M]+ 323.16397 173.1
[M]- 323.16507 173.1
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.