CID 115703

Piperidine, 1-(1-methyl-3,3-di-2-thienyl-2-propenyl)-, hydrochloride

Structural Information

Molecular Formula
C17H15NS2
SMILES
CC(C=C(C1=CC=CS1)C2=CC=CS2)C3=CC=CC=N3
InChI
InChI=1S/C17H15NS2/c1-13(15-6-2-3-9-18-15)12-14(16-7-4-10-19-16)17-8-5-11-20-17/h2-13H,1H3
InChIKey
MNUIVLKOTHSGIM-UHFFFAOYSA-N
Compound name
2-(4,4-dithiophen-2-ylbut-3-en-2-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.0646 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.07188 169.5
[M+Na]+ 320.05382 179.2
[M-H]- 296.05732 179.1
[M+NH4]+ 315.09842 188.0
[M+K]+ 336.02776 173.3
[M+H-H2O]+ 280.06186 163.1
[M+HCOO]- 342.06280 184.4
[M+CH3COO]- 356.07845 181.7
[M+Na-2H]- 318.03927 166.6
[M]+ 297.06405 172.9
[M]- 297.06515 172.9
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.