CID 3074212

6,11-dihydro-11-methoxy-6-methyldibenzo(c,f)(1,2)thiazepine s,s-dioxide

Structural Information

Molecular Formula
C15H15NO3S
SMILES
CN1C2=CC=CC=C2C(C3=CC=CC=C3S1(=O)=O)OC
InChI
InChI=1S/C15H15NO3S/c1-16-13-9-5-3-7-11(13)15(19-2)12-8-4-6-10-14(12)20(16,17)18/h3-10,15H,1-2H3
InChIKey
ZXYYOSNJPPVCGW-UHFFFAOYSA-N
Compound name
11-methoxy-6-methyl-11H-benzo[c][1,2]benzothiazepine 5,5-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.07727 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.08455 161.8
[M+Na]+ 312.06649 171.4
[M-H]- 288.06999 167.7
[M+NH4]+ 307.11109 180.0
[M+K]+ 328.04043 171.3
[M+H-H2O]+ 272.07453 156.2
[M+HCOO]- 334.07547 176.6
[M+CH3COO]- 348.09112 173.7
[M+Na-2H]- 310.05194 167.4
[M]+ 289.07672 164.1
[M]- 289.07782 164.1
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.