CID 6320912

1-ethyl-2-methyl-3,5-dihydropyrido[4,3-b][1,4]benzothiazepine-4,6-dione

Structural Information

Molecular Formula
C15H14N2O2S
SMILES
CCC1=C(NC(=O)C2=C1SC3=CC=CC=C3C(=O)N2)C
InChI
InChI=1S/C15H14N2O2S/c1-3-9-8(2)16-15(19)12-13(9)20-11-7-5-4-6-10(11)14(18)17-12/h4-7H,3H2,1-2H3,(H,16,19)(H,17,18)
InChIKey
OMOXBGJNXHZWNC-UHFFFAOYSA-N
Compound name
1-ethyl-2-methyl-3,5-dihydropyrido[4,3-b][1,4]benzothiazepine-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.0776 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.08488 163.4
[M+Na]+ 309.06682 172.4
[M-H]- 285.07032 165.5
[M+NH4]+ 304.11142 177.5
[M+K]+ 325.04076 170.4
[M+H-H2O]+ 269.07486 157.3
[M+HCOO]- 331.07580 174.0
[M+CH3COO]- 345.09145 173.5
[M+Na-2H]- 307.05227 166.2
[M]+ 286.07705 161.6
[M]- 286.07815 161.6
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.