CID 177799639

Tert-butyl n-[3-(2-amino-1,3-thiazol-4-yl)propyl]carbamate

Structural Information

Molecular Formula
C11H19N3O2S
SMILES
CC(C)(C)OC(=O)NCCCC1=CSC(=N1)N
InChI
InChI=1S/C11H19N3O2S/c1-11(2,3)16-10(15)13-6-4-5-8-7-17-9(12)14-8/h7H,4-6H2,1-3H3,(H2,12,14)(H,13,15)
InChIKey
DSCBUXCXYJFUTL-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-(2-amino-1,3-thiazol-4-yl)propyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.1198 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.127076 160.9
[M+Na]+ 280.109018 167.1
[M-H]- 256.112524 162.8
[M+NH4]+ 275.153623 178.3
[M+K]+ 296.082958 164.7
[M+H-H2O]+ 240.117060 154.0
[M+HCOO]- 302.118001 178.4
[M+CH3COO]- 316.133651 196.5
[M+Na-2H]- 278.094466 161.5
[M]+ 257.11925142 163.5
[M]- 257.12034858 163.5
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.