CID 108894687

Serine hydrolase inhibitor-1

Structural Information

Molecular Formula
C15H22N4O3
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C(=O)NC2=CC=CC=N2
InChI
InChI=1S/C15H22N4O3/c1-15(2,3)22-14(21)19-10-8-18(9-11-19)13(20)17-12-6-4-5-7-16-12/h4-7H,8-11H2,1-3H3,(H,16,17,20)
InChIKey
AZTUPJARVMQULZ-UHFFFAOYSA-N
Compound name
tert-butyl 4-(pyridin-2-ylcarbamoyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.1692 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.17648 174.0
[M+Na]+ 329.15842 177.7
[M-H]- 305.16192 175.8
[M+NH4]+ 324.20302 184.1
[M+K]+ 345.13236 175.7
[M+H-H2O]+ 289.16646 164.3
[M+HCOO]- 351.16740 188.3
[M+CH3COO]- 365.18305 203.7
[M+Na-2H]- 327.14387 177.3
[M]+ 306.16865 171.2
[M]- 306.16975 171.2
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

No patent data available for this compound.