CID 485037

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

Structural Information

Molecular Formula
C11H17N3O3S
SMILES
CC(C1=NC(=CS1)C(=O)N)NC(=O)OC(C)(C)C
InChI
InChI=1S/C11H17N3O3S/c1-6(13-10(16)17-11(2,3)4)9-14-7(5-18-9)8(12)15/h5-6H,1-4H3,(H2,12,15)(H,13,16)
InChIKey
MLCJNOOEQFHVFJ-UHFFFAOYSA-N
Compound name
tert-butyl N-[1-(4-carbamoyl-1,3-thiazol-2-yl)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

271.09906 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.10634 163.5
[M+Na]+ 294.08828 169.1
[M-H]- 270.09178 165.6
[M+NH4]+ 289.13288 180.0
[M+K]+ 310.06222 167.8
[M+H-H2O]+ 254.09632 156.8
[M+HCOO]- 316.09726 179.3
[M+CH3COO]- 330.11291 199.5
[M+Na-2H]- 292.07373 162.3
[M]+ 271.09851 165.6
[M]- 271.09961 165.6
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.