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

4
Patents

256.06705 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.074326 155.0
[M+Na]+ 279.056268 164.1
[M-H]- 255.059774 158.6
[M+NH4]+ 274.100873 170.3
[M+K]+ 295.030208 157.7
[M+H-H2O]+ 239.064310 147.1
[M+HCOO]- 301.065251 167.7
[M+CH3COO]- 315.080901 166.1
[M+Na-2H]- 277.041716 159.0
[M]+ 256.06650142 153.4
[M]- 256.06759858 153.4
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