CID 124203236

Serine hydrolase inhibitor-9

Structural Information

Molecular Formula
C16H24FN3O3
SMILES
CC(C)(C)OC(=O)N(C)CCN(C)C(=O)NC1=CC=CC=C1F
InChI
InChI=1S/C16H24FN3O3/c1-16(2,3)23-15(22)20(5)11-10-19(4)14(21)18-13-9-7-6-8-12(13)17/h6-9H,10-11H2,1-5H3,(H,18,21)
InChIKey
OOSVRVOVTXLHKA-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-[(2-fluorophenyl)carbamoyl-methylamino]ethyl]-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.18018 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.18746 178.1
[M+Na]+ 348.16940 181.8
[M-H]- 324.17290 182.7
[M+NH4]+ 343.21400 192.7
[M+K]+ 364.14334 182.8
[M+H-H2O]+ 308.17744 169.3
[M+HCOO]- 370.17838 200.9
[M+CH3COO]- 384.19403 221.2
[M+Na-2H]- 346.15485 179.3
[M]+ 325.17963 180.7
[M]- 325.18073 180.7
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.