CID 3067563

2-pyrrolidinone, 1-((4,4-dimethyl-4h-1,3-benzothiazin-2-yl)methyl)-, hydrochloride

Structural Information

Molecular Formula
C15H18N2OS
SMILES
CC1(C2=CC=CC=C2SC(=N1)CN3CCCC3=O)C
InChI
InChI=1S/C15H18N2OS/c1-15(2)11-6-3-4-7-12(11)19-13(16-15)10-17-9-5-8-14(17)18/h3-4,6-7H,5,8-10H2,1-2H3
InChIKey
LSSKYQDFASXAFA-UHFFFAOYSA-N
Compound name
1-[(4,4-dimethyl-1,3-benzothiazin-2-yl)methyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.11398 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.12126 163.1
[M+Na]+ 297.10320 175.9
[M+NH4]+ 292.14780 173.7
[M+K]+ 313.07714 166.0
[M-H]- 273.10670 166.7
[M+Na-2H]- 295.08865 170.1
[M]+ 274.11343 166.6
[M]- 274.11453 166.6
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.