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 169.4
[M+Na]+ 340.09777 177.8
[M-H]- 316.10127 175.0
[M+NH4]+ 335.14237 186.4
[M+K]+ 356.07171 177.9
[M+H-H2O]+ 300.10581 163.6
[M+HCOO]- 362.10675 182.6
[M+CH3COO]- 376.12240 180.4
[M+Na-2H]- 338.08322 173.2
[M]+ 317.10800 171.8
[M]- 317.10910 171.8
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.