CID 71372718

634192-72-6

Structural Information

Molecular Formula
C6H8ClN3OS
SMILES
CNC(=O)NCC1=CN=C(S1)Cl
InChI
InChI=1S/C6H8ClN3OS/c1-8-6(11)10-3-4-2-9-5(7)12-4/h2H,3H2,1H3,(H2,8,10,11)
InChIKey
MGFSUYNSKZUJOH-UHFFFAOYSA-N
Compound name
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylurea
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

4
Patents

205.00766 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.01494 141.2
[M+Na]+ 227.99688 150.0
[M-H]- 204.00038 144.2
[M+NH4]+ 223.04148 161.7
[M+K]+ 243.97082 146.3
[M+H-H2O]+ 188.00492 135.5
[M+HCOO]- 250.00586 157.6
[M+CH3COO]- 264.02151 184.1
[M+Na-2H]- 225.98233 143.6
[M]+ 205.00711 143.9
[M]- 205.00821 143.9
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.