CID 199715

Piperazine, 1-(10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-ethyl-, maleate (1:1)

Structural Information

Molecular Formula
C20H24N2S
SMILES
CCN1CCN(CC1)C2CC3=CC=CC=C3SC4=CC=CC=C24
InChI
InChI=1S/C20H24N2S/c1-2-21-11-13-22(14-12-21)18-15-16-7-3-5-9-19(16)23-20-10-6-4-8-17(18)20/h3-10,18H,2,11-15H2,1H3
InChIKey
ZKNPIORRPAMLTR-UHFFFAOYSA-N
Compound name
1-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-ethylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.16602 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.173296 177.5
[M+Na]+ 347.155238 182.2
[M-H]- 323.158744 182.7
[M+NH4]+ 342.199843 190.4
[M+K]+ 363.129178 179.6
[M+H-H2O]+ 307.163280 169.0
[M+HCOO]- 369.164221 186.1
[M+CH3COO]- 383.179871 185.7
[M+Na-2H]- 345.140686 179.1
[M]+ 324.16547142 171.9
[M]- 324.16656858 171.9
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.