CID 206172

Piperazine, 1-(2-(6,11-dihydrodibenzo(b,e)thiepin-2-yl)-1-thioxoethyl)-4-methyl-, monohydrochloride

Structural Information

Molecular Formula
C21H24N2S2
SMILES
CN1CCN(CC1)C(=S)CC2=CC3=C(C=C2)SCC4=CC=CC=C4C3
InChI
InChI=1S/C21H24N2S2/c1-22-8-10-23(11-9-22)21(24)13-16-6-7-20-19(12-16)14-17-4-2-3-5-18(17)15-25-20/h2-7,12H,8-11,13-15H2,1H3
InChIKey
UIOHTKKTUBDJRF-UHFFFAOYSA-N
Compound name
2-(6,11-dihydrobenzo[c][1]benzothiepin-2-yl)-1-(4-methylpiperazin-1-yl)ethanethione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.1381 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.14538 183.3
[M+Na]+ 391.12732 194.8
[M+NH4]+ 386.17192 192.4
[M+K]+ 407.10126 183.7
[M-H]- 367.13082 188.1
[M+Na-2H]- 389.11277 188.8
[M]+ 368.13755 187.4
[M]- 368.13865 187.4
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.