CID 1485005

1-[4-methyl-2-(pyridin-3-yl)-1,3-thiazol-5-yl]ethan-1-one hydrochloride

Structural Information

Molecular Formula
C11H10N2OS
SMILES
CC1=C(SC(=N1)C2=CN=CC=C2)C(=O)C
InChI
InChI=1S/C11H10N2OS/c1-7-10(8(2)14)15-11(13-7)9-4-3-5-12-6-9/h3-6H,1-2H3
InChIKey
NWSRUSOSLHVWOZ-UHFFFAOYSA-N
Compound name
1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

72
Patents

218.05139 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.058666 145.8
[M+Na]+ 241.040608 156.2
[M-H]- 217.044114 151.1
[M+NH4]+ 236.085213 164.4
[M+K]+ 257.014548 152.6
[M+H-H2O]+ 201.048650 138.6
[M+HCOO]- 263.049591 163.8
[M+CH3COO]- 277.065241 186.3
[M+Na-2H]- 239.026056 147.0
[M]+ 218.05084142 149.0
[M]- 218.05193858 149.0
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