CID 62653162

1248387-59-8

Structural Information

Molecular Formula
C11H10N2OS
SMILES
CC1=C(N=CC=C1)C2=NC=C(S2)C(=O)C
InChI
InChI=1S/C11H10N2OS/c1-7-4-3-5-12-10(7)11-13-6-9(15-11)8(2)14/h3-6H,1-2H3
InChIKey
KCAFZSJYHYCVJZ-UHFFFAOYSA-N
Compound name
1-[2-(3-methylpyridin-2-yl)-1,3-thiazol-5-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.05139 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.05867 145.8
[M+Na]+ 241.04061 156.2
[M-H]- 217.04411 151.1
[M+NH4]+ 236.08521 164.4
[M+K]+ 257.01455 152.6
[M+H-H2O]+ 201.04865 138.6
[M+HCOO]- 263.04959 163.8
[M+CH3COO]- 277.06524 186.3
[M+Na-2H]- 239.02606 147.0
[M]+ 218.05084 149.0
[M]- 218.05194 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.