CID 11971508

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

Structural Information

Molecular Formula
C14H12N2OS
SMILES
CC1=C(SCC(=O)N1)C2=CC=NC3=CC=CC=C23
InChI
InChI=1S/C14H12N2OS/c1-9-14(18-8-13(17)16-9)11-6-7-15-12-5-3-2-4-10(11)12/h2-7H,8H2,1H3,(H,16,17)
InChIKey
XVRPCJJFKURBNF-UHFFFAOYSA-N
Compound name
5-methyl-6-quinolin-4-yl-4H-1,4-thiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

256.06705 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.07433 155.3
[M+Na]+ 279.05627 170.7
[M+NH4]+ 274.10087 164.6
[M+K]+ 295.03021 160.5
[M-H]- 255.05977 159.7
[M+Na-2H]- 277.04172 163.3
[M]+ 256.06650 159.3
[M]- 256.06760 159.3
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