CID 125511568

2089277-64-3

Structural Information

Molecular Formula
C12H19N3O2S
SMILES
CC(C)(C)OC(=O)NCC1=NC2=C(S1)CCNC2
InChI
InChI=1S/C12H19N3O2S/c1-12(2,3)17-11(16)14-7-10-15-8-6-13-5-4-9(8)18-10/h13H,4-7H2,1-3H3,(H,14,16)
InChIKey
FFACFGNGHKIXKZ-UHFFFAOYSA-N
Compound name
tert-butyl N-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-ylmethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.1198 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.12708 161.9
[M+Na]+ 292.10902 169.2
[M+NH4]+ 287.15362 168.5
[M+K]+ 308.08296 165.0
[M-H]- 268.11252 161.1
[M+Na-2H]- 290.09447 163.6
[M]+ 269.11925 162.8
[M]- 269.12035 162.8
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.