CID 3741742

4-chloro-2-[(2-hydroxypropyl)amino]-1,3-thiazole-5-carbonitrile

Structural Information

Molecular Formula
C7H8ClN3OS
SMILES
CC(CNC1=NC(=C(S1)C#N)Cl)O
InChI
InChI=1S/C7H8ClN3OS/c1-4(12)3-10-7-11-6(8)5(2-9)13-7/h4,12H,3H2,1H3,(H,10,11)
InChIKey
OVNZZRDNCUSTQX-UHFFFAOYSA-N
Compound name
4-chloro-2-(2-hydroxypropylamino)-1,3-thiazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

217.00766 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.01494 147.9
[M+Na]+ 239.99688 158.9
[M-H]- 216.00038 149.7
[M+NH4]+ 235.04148 165.7
[M+K]+ 255.97082 155.1
[M+H-H2O]+ 200.00492 136.1
[M+HCOO]- 262.00586 158.4
[M+CH3COO]- 276.02151 196.1
[M+Na-2H]- 237.98233 148.3
[M]+ 217.00711 145.7
[M]- 217.00821 145.7
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

No patent data available for this compound.