CID 485046

Tert-butyl 2-(4-carbamoylthiazol-2-yl)pyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C13H19N3O3S
SMILES
CC(C)(C)OC(=O)N1CCCC1C2=NC(=CS2)C(=O)N
InChI
InChI=1S/C13H19N3O3S/c1-13(2,3)19-12(18)16-6-4-5-9(16)11-15-8(7-20-11)10(14)17/h7,9H,4-6H2,1-3H3,(H2,14,17)
InChIKey
JGJYBKWJIAJGGQ-UHFFFAOYSA-N
Compound name
tert-butyl 2-(4-carbamoyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

297.11472 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.121996 171.3
[M+Na]+ 320.103938 177.6
[M-H]- 296.107444 175.6
[M+NH4]+ 315.148543 187.6
[M+K]+ 336.077878 176.0
[M+H-H2O]+ 280.111980 164.8
[M+HCOO]- 342.112921 185.0
[M+CH3COO]- 356.128571 200.1
[M+Na-2H]- 318.089386 167.4
[M]+ 297.11417142 172.4
[M]- 297.11526858 172.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.