CID 218226

8-methylseleno-10-(4-methylpiperazino)dibenzo(b,f)thiepin maleate

Structural Information

Molecular Formula
C20H22N2SSe
SMILES
CN1CCN(CC1)C2=CC3=CC=CC=C3SC4=C2C=C(C=C4)[Se]C
InChI
InChI=1S/C20H22N2SSe/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)23-20-8-7-16(24-2)14-17(18)20/h3-8,13-14H,9-12H2,1-2H3
InChIKey
DSVZWSMNDGAGOU-UHFFFAOYSA-N
Compound name
1-methyl-4-(3-methylselanylbenzo[b][1]benzothiepin-5-yl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.0669 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.07418 190.5
[M+Na]+ 425.05612 203.9
[M+NH4]+ 420.10072 199.6
[M+K]+ 441.03006 193.0
[M-H]- 401.05962 195.8
[M+Na-2H]- 423.04157 196.7
[M]+ 402.06635 194.7
[M]- 402.06745 194.7
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.