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-methyl-2-pyridinyl)-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]+ 219.058666 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.