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 155.0
[M+Na]+ 279.05627 164.1
[M-H]- 255.05977 158.6
[M+NH4]+ 274.10087 170.3
[M+K]+ 295.03021 157.7
[M+H-H2O]+ 239.06431 147.1
[M+HCOO]- 301.06525 167.7
[M+CH3COO]- 315.08090 166.1
[M+Na-2H]- 277.04172 159.0
[M]+ 256.06650 153.4
[M]- 256.06760 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