CID 206169

4-(5,6-dihydro(1)benzothiepino(2,3-b)pyridin-6-yl)-1-piperazinepropanol dimaleate

Structural Information

Molecular Formula
C20H25N3OS
SMILES
C1CN(CCN1CCCO)C2CC3=C(N=CC=C3)SC4=CC=CC=C24
InChI
InChI=1S/C20H25N3OS/c24-14-4-9-22-10-12-23(13-11-22)18-15-16-5-3-8-21-20(16)25-19-7-2-1-6-17(18)19/h1-3,5-8,18,24H,4,9-15H2
InChIKey
XCVGTEJELDQDOO-UHFFFAOYSA-N
Compound name
3-[4-(5,6-dihydro-[1]benzothiepino[2,3-b]pyridin-6-yl)piperazin-1-yl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.17184 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.17912 184.9
[M+Na]+ 378.16106 196.5
[M+NH4]+ 373.20566 192.7
[M+K]+ 394.13500 187.3
[M-H]- 354.16456 188.5
[M+Na-2H]- 376.14651 190.1
[M]+ 355.17129 188.1
[M]- 355.17239 188.1
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.