CID 13353972

2-methyl-11-(2-(4-methylpiperazino)ethoxy)-6,11-dihydrodibenzo(b,e)thiepin bis(maleate)

Structural Information

Molecular Formula
C22H28N2OS
SMILES
CC1=CC2=C(C=C1)SCC3=CC=CC=C3C2OCCN4CCN(CC4)C
InChI
InChI=1S/C22H28N2OS/c1-17-7-8-21-20(15-17)22(19-6-4-3-5-18(19)16-26-21)25-14-13-24-11-9-23(2)10-12-24/h3-8,15,22H,9-14,16H2,1-2H3
InChIKey
QMZKWJPTPDQJRS-UHFFFAOYSA-N
Compound name
1-methyl-4-[2-[(2-methyl-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)oxy]ethyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.19223 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.19951 189.6
[M+Na]+ 391.18145 201.7
[M+NH4]+ 386.22605 198.2
[M+K]+ 407.15539 191.8
[M-H]- 367.18495 194.4
[M+Na-2H]- 389.16690 195.0
[M]+ 368.19168 193.3
[M]- 368.19278 193.3
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.