CID 199776

4-(10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazineethanol maleate

Structural Information

Molecular Formula
C20H24N2OS
SMILES
C1CN(CCN1CCO)C2CC3=CC=CC=C3SC4=CC=CC=C24
InChI
InChI=1S/C20H24N2OS/c23-14-13-21-9-11-22(12-10-21)18-15-16-5-1-3-7-19(16)24-20-8-4-2-6-17(18)20/h1-8,18,23H,9-15H2
InChIKey
UWGLVTDXIPKEIY-UHFFFAOYSA-N
Compound name
2-[4-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.16095 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.16823 180.5
[M+Na]+ 363.15017 192.2
[M+NH4]+ 358.19477 189.1
[M+K]+ 379.12411 182.9
[M-H]- 339.15367 184.8
[M+Na-2H]- 361.13562 186.1
[M]+ 340.16040 184.0
[M]- 340.16150 184.0
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.