CID 217897

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

Structural Information

Molecular Formula
C20H24N2SSe
SMILES
CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)[Se]C
InChI
InChI=1S/C20H24N2SSe/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/h3-8,14,18H,9-13H2,1-2H3
InChIKey
WNWWBFMDNXDCBN-UHFFFAOYSA-N
Compound name
1-methyl-4-(3-methylselanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.08255 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.08983 191.4
[M+Na]+ 427.07177 203.9
[M+NH4]+ 422.11637 200.4
[M+K]+ 443.04571 193.3
[M-H]- 403.07527 196.5
[M+Na-2H]- 425.05722 196.8
[M]+ 404.08200 195.3
[M]- 404.08310 195.3
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.