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

14
Patents

206.05139 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.058666 142.4
[M+Na]+ 229.040608 150.9
[M-H]- 205.044114 145.2
[M+NH4]+ 224.085213 158.6
[M+K]+ 245.014548 146.0
[M+H-H2O]+ 189.048650 135.0
[M+HCOO]- 251.049591 156.5
[M+CH3COO]- 265.065241 154.2
[M+Na-2H]- 227.026056 145.6
[M]+ 206.05084142 140.1
[M]- 206.05193858 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