CID 203723

1-(4,9-dihydrothieno(2,3-c)(2)benzothiepin-4-yl)-4-methylpiperazine maleate

Structural Information

Molecular Formula
C17H20N2S2
SMILES
CN1CCN(CC1)C2C3=C(SCC4=CC=CC=C24)SC=C3
InChI
InChI=1S/C17H20N2S2/c1-18-7-9-19(10-8-18)16-14-5-3-2-4-13(14)12-21-17-15(16)6-11-20-17/h2-6,11,16H,7-10,12H2,1H3
InChIKey
IRBXOKWRMBPZAM-UHFFFAOYSA-N
Compound name
1-(5,10-dihydrothieno[2,3-c][2]benzothiepin-10-yl)-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.10678 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.11406 170.6
[M+Na]+ 339.09600 181.5
[M+NH4]+ 334.14060 180.5
[M+K]+ 355.06994 172.5
[M-H]- 315.09950 175.3
[M+Na-2H]- 337.08145 175.5
[M]+ 316.10623 174.6
[M]- 316.10733 174.6
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.