CID 3067565

2-(4'-oxo-3'-methylpiperidino)methyl-4,4-dimethyl-4h-1,3-benzothiazine hydrochloride

Structural Information

Molecular Formula
C17H22N2OS
SMILES
CC1CN(CCC1=O)CC2=NC(C3=CC=CC=C3S2)(C)C
InChI
InChI=1S/C17H22N2OS/c1-12-10-19(9-8-14(12)20)11-16-18-17(2,3)13-6-4-5-7-15(13)21-16/h4-7,12H,8-11H2,1-3H3
InChIKey
BLZLODNVYBZQAM-UHFFFAOYSA-N
Compound name
1-[(4,4-dimethyl-1,3-benzothiazin-2-yl)methyl]-3-methylpiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.1453 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.15258 170.0
[M+Na]+ 325.13452 177.7
[M-H]- 301.13802 174.2
[M+NH4]+ 320.17912 186.2
[M+K]+ 341.10846 172.5
[M+H-H2O]+ 285.14256 161.5
[M+HCOO]- 347.14350 180.2
[M+CH3COO]- 361.15915 180.0
[M+Na-2H]- 323.11997 171.4
[M]+ 302.14475 169.1
[M]- 302.14585 169.1
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

No patent data available for this compound.