CID 204799

10-(4-methylpiperazino)-11-methyl-10,11-dihydrodibenzo(b,f)thiepin maleate

Structural Information

Molecular Formula
C20H24N2S
SMILES
CC1C(C2=CC=CC=C2SC3=CC=CC=C13)N4CCN(CC4)C
InChI
InChI=1S/C20H24N2S/c1-15-16-7-3-5-9-18(16)23-19-10-6-4-8-17(19)20(15)22-13-11-21(2)12-14-22/h3-10,15,20H,11-14H2,1-2H3
InChIKey
MLTPXMMPZPVSPK-UHFFFAOYSA-N
Compound name
1-methyl-4-(6-methyl-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 177.9
[M+Na]+ 347.15524 183.4
[M-H]- 323.15874 183.5
[M+NH4]+ 342.19984 191.1
[M+K]+ 363.12918 180.9
[M+H-H2O]+ 307.16328 169.6
[M+HCOO]- 369.16422 186.5
[M+CH3COO]- 383.17987 186.4
[M+Na-2H]- 345.14069 178.8
[M]+ 324.16547 172.7
[M]- 324.16657 172.7
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.