CID 53236471

[(2-chloro-1,3-thiazol-5-yl)methyl]urea

Structural Information

Molecular Formula
C5H6ClN3OS
SMILES
C1=C(SC(=N1)Cl)CNC(=O)N
InChI
InChI=1S/C5H6ClN3OS/c6-4-8-1-3(11-4)2-9-5(7)10/h1H,2H2,(H3,7,9,10)
InChIKey
JPLZYOZEQJHMHP-UHFFFAOYSA-N
Compound name
(2-chloro-1,3-thiazol-5-yl)methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

190.992 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.99928 136.6
[M+Na]+ 213.98122 145.7
[M-H]- 189.98472 139.1
[M+NH4]+ 209.02582 157.2
[M+K]+ 229.95516 141.9
[M+H-H2O]+ 173.98926 131.0
[M+HCOO]- 235.99020 152.6
[M+CH3COO]- 250.00585 181.1
[M+Na-2H]- 211.96667 138.5
[M]+ 190.99145 138.0
[M]- 190.99255 138.0
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

patents stripe