CID 5484

Tipepidine

Structural Information

Molecular Formula
C15H17NS2
SMILES
CN1CCCC(=C(C2=CC=CS2)C3=CC=CS3)C1
InChI
InChI=1S/C15H17NS2/c1-16-8-2-5-12(11-16)15(13-6-3-9-17-13)14-7-4-10-18-14/h3-4,6-7,9-10H,2,5,8,11H2,1H3
InChIKey
JWIXXNLOKOAAQT-UHFFFAOYSA-N
Compound name
3-(dithiophen-2-ylmethylidene)-1-methylpiperidine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

35
References

1648
Patents

275.08023 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.08751 159.6
[M+Na]+ 298.06945 171.2
[M+NH4]+ 293.11405 169.9
[M+K]+ 314.04339 163.0
[M-H]- 274.07295 165.4
[M+Na-2H]- 296.05490 166.8
[M]+ 275.07968 163.8
[M]- 275.08078 163.8
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

patents stripe