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 162.3
[M+Na]+ 297.10320 171.4
[M-H]- 273.10670 167.3
[M+NH4]+ 292.14780 181.6
[M+K]+ 313.07714 166.7
[M+H-H2O]+ 257.11124 155.0
[M+HCOO]- 319.11218 175.7
[M+CH3COO]- 333.12783 173.9
[M+Na-2H]- 295.08865 163.5
[M]+ 274.11343 162.9
[M]- 274.11453 162.9
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.