CID 3047761

Piperidinium, 1,1'-(thiodiethylene)bis(1-ethyl-, diiodide

Structural Information

Molecular Formula
C18H38N2S
SMILES
CC[N+]1(CCCCC1)CCSCC[N+]2(CCCCC2)CC
InChI
InChI=1S/C18H38N2S/c1-3-19(11-7-5-8-12-19)15-17-21-18-16-20(4-2)13-9-6-10-14-20/h3-18H2,1-2H3/q+2
InChIKey
YLTXTBGKBVSHQB-UHFFFAOYSA-N
Compound name
1-ethyl-1-[2-[2-(1-ethylpiperidin-1-ium-1-yl)ethylsulfanyl]ethyl]piperidin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.27557 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.28285 173.0
[M+Na]+ 337.26479 173.1
[M-H]- 313.26829 174.3
[M+NH4]+ 332.30939 188.2
[M+K]+ 353.23873 158.9
[M+H-H2O]+ 297.27283 169.7
[M+HCOO]- 359.27377 178.9
[M+CH3COO]- 373.28942 192.8
[M+Na-2H]- 335.25024 177.0
[M]+ 314.27502 165.2
[M]- 314.27612 165.2
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.