CID 485042

Tert-butyl n-[1-(4-carbamoylthiazol-2-yl)-2-methyl-propyl]carbamate

Structural Information

Molecular Formula
C13H21N3O3S
SMILES
CC(C)C(C1=NC(=CS1)C(=O)N)NC(=O)OC(C)(C)C
InChI
InChI=1S/C13H21N3O3S/c1-7(2)9(16-12(18)19-13(3,4)5)11-15-8(6-20-11)10(14)17/h6-7,9H,1-5H3,(H2,14,17)(H,16,18)
InChIKey
QBNPNOQYDGGJKB-UHFFFAOYSA-N
Compound name
tert-butyl N-[1-(4-carbamoyl-1,3-thiazol-2-yl)-2-methylpropyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

299.13037 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.13765 172.2
[M+Na]+ 322.11959 176.6
[M-H]- 298.12309 174.0
[M+NH4]+ 317.16419 187.4
[M+K]+ 338.09353 175.5
[M+H-H2O]+ 282.12763 165.3
[M+HCOO]- 344.12857 186.3
[M+CH3COO]- 358.14422 206.4
[M+Na-2H]- 320.10504 169.1
[M]+ 299.12982 174.4
[M]- 299.13092 174.4
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.