CID 215803

36305-77-8

Structural Information

Molecular Formula
C7H12N4O2S
SMILES
CC1(NC=CS1)NC(=O)N(C)C(=O)N
InChI
InChI=1S/C7H12N4O2S/c1-7(9-3-4-14-7)10-6(13)11(2)5(8)12/h3-4,9H,1-2H3,(H2,8,12)(H,10,13)
InChIKey
YZIAFQKTPBXGBU-UHFFFAOYSA-N
Compound name
1-carbamoyl-1-methyl-3-(2-methyl-3H-1,3-thiazol-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.0681 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.07538 146.2
[M+Na]+ 239.05732 150.5
[M+NH4]+ 234.10192 153.2
[M+K]+ 255.03126 146.9
[M-H]- 215.06082 145.9
[M+Na-2H]- 237.04277 149.7
[M]+ 216.06755 146.5
[M]- 216.06865 146.5
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.