CID 11971509

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

Structural Information

Molecular Formula
C11H12N2OS
SMILES
CC1C(=O)NC(=C(S1)C2=CC=NC=C2)C
InChI
InChI=1S/C11H12N2OS/c1-7-10(9-3-5-12-6-4-9)15-8(2)11(14)13-7/h3-6,8H,1-2H3,(H,13,14)
InChIKey
BASQBTAAMSCNOS-UHFFFAOYSA-N
Compound name
2,5-dimethyl-6-pyridin-4-yl-4H-1,4-thiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

220.06703 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.07431 146.7
[M+Na]+ 243.05625 155.7
[M-H]- 219.05975 149.8
[M+NH4]+ 238.10085 162.7
[M+K]+ 259.03019 150.6
[M+H-H2O]+ 203.06429 139.4
[M+HCOO]- 265.06523 160.5
[M+CH3COO]- 279.08088 158.5
[M+Na-2H]- 241.04170 148.7
[M]+ 220.06648 145.3
[M]- 220.06758 145.3
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