CID 124203233

Serine hydrolase inhibitor-3

Structural Information

Molecular Formula
C15H24N4O3
SMILES
CC(C)(C)OC(=O)N(C)CCN(C)C(=O)NC1=CC=CC=N1
InChI
InChI=1S/C15H24N4O3/c1-15(2,3)22-14(21)19(5)11-10-18(4)13(20)17-12-8-6-7-9-16-12/h6-9H,10-11H2,1-5H3,(H,16,17,20)
InChIKey
AWNWUQFQKGBCMO-UHFFFAOYSA-N
Compound name
tert-butyl N-methyl-N-[2-[methyl(pyridin-2-ylcarbamoyl)amino]ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.18484 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.19212 174.9
[M+Na]+ 331.17406 178.0
[M-H]- 307.17756 179.4
[M+NH4]+ 326.21866 188.6
[M+K]+ 347.14800 179.5
[M+H-H2O]+ 291.18210 166.1
[M+HCOO]- 353.18304 197.9
[M+CH3COO]- 367.19869 217.0
[M+Na-2H]- 329.15951 178.2
[M]+ 308.18429 178.5
[M]- 308.18539 178.5
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.