CID 3074215

6,11-dihydro-6-methyl-11-(1-methylethoxy)dibenzo(c,f)(1,2)thiazepine 5,5-dioxide

Structural Information

Molecular Formula
C17H19NO3S
SMILES
CC(C)OC1C2=CC=CC=C2N(S(=O)(=O)C3=CC=CC=C13)C
InChI
InChI=1S/C17H19NO3S/c1-12(2)21-17-13-8-4-6-10-15(13)18(3)22(19,20)16-11-7-5-9-14(16)17/h4-12,17H,1-3H3
InChIKey
SJTHGFILBODOCA-UHFFFAOYSA-N
Compound name
6-methyl-11-propan-2-yloxy-11H-benzo[c][1,2]benzothiazepine 5,5-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.10855 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.11583 167.7
[M+Na]+ 340.09777 179.7
[M+NH4]+ 335.14237 176.6
[M+K]+ 356.07171 170.8
[M-H]- 316.10127 169.9
[M+Na-2H]- 338.08322 174.0
[M]+ 317.10800 170.8
[M]- 317.10910 170.8
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.