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]+ 217.075376 145.5
[M+Na]+ 239.057318 150.7
[M-H]- 215.060824 147.2
[M+NH4]+ 234.101923 165.3
[M+K]+ 255.031258 149.8
[M+H-H2O]+ 199.065360 139.3
[M+HCOO]- 261.066301 163.3
[M+CH3COO]- 275.081951 189.0
[M+Na-2H]- 237.042766 147.0
[M]+ 216.06755142 143.1
[M]- 216.06864858 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.