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 145.5
[M+Na]+ 239.05732 150.7
[M-H]- 215.06082 147.2
[M+NH4]+ 234.10192 165.3
[M+K]+ 255.03126 149.8
[M+H-H2O]+ 199.06536 139.3
[M+HCOO]- 261.06630 163.3
[M+CH3COO]- 275.08195 189.0
[M+Na-2H]- 237.04277 147.0
[M]+ 216.06755 143.1
[M]- 216.06865 143.1
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.