CID 3043057

8-ethyl-10-piperazino-10,11-dihydrodibenzo(b,f)thiepin maleate

Structural Information

Molecular Formula
C20H24N2S
SMILES
CCC1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCNCC4
InChI
InChI=1S/C20H24N2S/c1-2-15-7-8-20-17(13-15)18(22-11-9-21-10-12-22)14-16-5-3-4-6-19(16)23-20/h3-8,13,18,21H,2,9-12,14H2,1H3
InChIKey
KUPKHGJEVXIGEU-UHFFFAOYSA-N
Compound name
1-(3-ethyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.16602 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.17330 177.3
[M+Na]+ 347.15524 189.6
[M+NH4]+ 342.19984 186.5
[M+K]+ 363.12918 179.8
[M-H]- 323.15874 182.2
[M+Na-2H]- 345.14069 183.4
[M]+ 324.16547 181.1
[M]- 324.16657 181.1
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.