CID 463099

1-methyl-4-(1,2,4,5-tetrahydrobenzo[[?]:[?]]cyclohepta[[?]]thiophen-10-ylidene)piperidine

Structural Information

Molecular Formula
C19H23NS
SMILES
CN1CCC(=C2C3=C(CCC4=CC=CC=C42)SCC3)CC1
InChI
InChI=1S/C19H23NS/c1-20-11-8-15(9-12-20)19-16-5-3-2-4-14(16)6-7-18-17(19)10-13-21-18/h2-5H,6-13H2,1H3
InChIKey
YKPPDZJHDBNCQV-UHFFFAOYSA-N
Compound name
1-methyl-4-(6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),10,12-tetraen-2-ylidene)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

297.15512 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.16240 172.8
[M+Na]+ 320.14434 177.2
[M-H]- 296.14784 179.6
[M+NH4]+ 315.18894 189.9
[M+K]+ 336.11828 174.1
[M+H-H2O]+ 280.15238 166.6
[M+HCOO]- 342.15332 182.6
[M+CH3COO]- 356.16897 181.9
[M+Na-2H]- 318.12979 170.9
[M]+ 297.15457 165.3
[M]- 297.15567 165.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.