CID 211909

11-(4-methylpiperazino)-6,11-dihydrodibenzo(b,e)thiepin 5,5-dioxide maleate

Structural Information

Molecular Formula
C19H22N2O2S
SMILES
CN1CCN(CC1)C2C3=CC=CC=C3CS(=O)(=O)C4=CC=CC=C24
InChI
InChI=1S/C19H22N2O2S/c1-20-10-12-21(13-11-20)19-16-7-3-2-6-15(16)14-24(22,23)18-9-5-4-8-17(18)19/h2-9,19H,10-14H2,1H3
InChIKey
ZGCZHWVGJJBENA-UHFFFAOYSA-N
Compound name
11-(4-methylpiperazin-1-yl)-6,11-dihydrobenzo[c][1]benzothiepine 5,5-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.1402 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.14748 181.3
[M+Na]+ 365.12942 188.2
[M-H]- 341.13292 187.2
[M+NH4]+ 360.17402 195.4
[M+K]+ 381.10336 186.1
[M+H-H2O]+ 325.13746 172.6
[M+HCOO]- 387.13840 190.7
[M+CH3COO]- 401.15405 190.1
[M+Na-2H]- 363.11487 183.9
[M]+ 342.13965 177.4
[M]- 342.14075 177.4
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.