CID 3078838

4-(1-methyl-4-piperidyl)-4,9-dihydrothieno(2,3-c)benzothiepin maleate

Structural Information

Molecular Formula
C18H21NS2
SMILES
CN1CCC(CC1)C2C3=C(SCC4=CC=CC=C24)SC=C3
InChI
InChI=1S/C18H21NS2/c1-19-9-6-13(7-10-19)17-15-5-3-2-4-14(15)12-21-18-16(17)8-11-20-18/h2-5,8,11,13,17H,6-7,9-10,12H2,1H3
InChIKey
HQALMCVNRYSGKI-UHFFFAOYSA-N
Compound name
4-(5,10-dihydrothieno[2,3-c][2]benzothiepin-10-yl)-1-methylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.11154 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.11882 170.4
[M+Na]+ 338.10076 181.2
[M+NH4]+ 333.14536 180.8
[M+K]+ 354.07470 171.9
[M-H]- 314.10426 175.7
[M+Na-2H]- 336.08621 175.5
[M]+ 315.11099 174.5
[M]- 315.11209 174.5
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.