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]+ 298.12200 171.3
[M+Na]+ 320.10394 177.6
[M-H]- 296.10744 175.6
[M+NH4]+ 315.14854 187.6
[M+K]+ 336.07788 176.0
[M+H-H2O]+ 280.11198 164.8
[M+HCOO]- 342.11292 185.0
[M+CH3COO]- 356.12857 200.1
[M+Na-2H]- 318.08939 167.4
[M]+ 297.11417 172.4
[M]- 297.11527 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.