CID 3062532

2h-1,4-thiazin-3(4h)-one, 5-methyl-6-(4-pyridinyl)-

Structural Information

Molecular Formula
C10H10N2OS
SMILES
CC1=C(SCC(=O)N1)C2=CC=NC=C2
InChI
InChI=1S/C10H10N2OS/c1-7-10(14-6-9(13)12-7)8-2-4-11-5-3-8/h2-5H,6H2,1H3,(H,12,13)
InChIKey
WZLDCQZXQZZCJI-UHFFFAOYSA-N
Compound name
5-methyl-6-pyridin-4-yl-4H-1,4-thiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

206.05139 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.05867 142.4
[M+Na]+ 229.04061 150.9
[M-H]- 205.04411 145.2
[M+NH4]+ 224.08521 158.6
[M+K]+ 245.01455 146.0
[M+H-H2O]+ 189.04865 135.0
[M+HCOO]- 251.04959 156.5
[M+CH3COO]- 265.06524 154.2
[M+Na-2H]- 227.02606 145.6
[M]+ 206.05084 140.1
[M]- 206.05194 140.1
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