CID 84102

N-(5-chloro-4-methyl-2-thiazolyl)propanamide

Structural Information

Molecular Formula
C7H9ClN2OS
SMILES
CCC(=O)NC1=NC(=C(S1)Cl)C
InChI
InChI=1S/C7H9ClN2OS/c1-3-5(11)10-7-9-4(2)6(8)12-7/h3H2,1-2H3,(H,9,10,11)
InChIKey
QHLFJSMAWAWVRU-UHFFFAOYSA-N
Compound name
N-(5-chloro-4-methyl-1,3-thiazol-2-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

518
Patents

204.0124 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.01968 141.2
[M+Na]+ 227.00162 151.3
[M-H]- 203.00512 144.5
[M+NH4]+ 222.04622 162.4
[M+K]+ 242.97556 147.6
[M+H-H2O]+ 187.00966 136.2
[M+HCOO]- 249.01060 156.3
[M+CH3COO]- 263.02625 184.0
[M+Na-2H]- 224.98707 142.0
[M]+ 204.01185 145.6
[M]- 204.01295 145.6
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

patents stripe