CID 24845866

Quinolinium, 2-(2-((2-methoxyethyl)amino)-2-(methylthio)vinyl)-1-methyl-, iodide

Structural Information

Molecular Formula
C16H21N2OS
SMILES
C[N+]1=C(C=CC2=CC=CC=C21)/C=C(\NCCOC)/SC
InChI
InChI=1S/C16H20N2OS/c1-18-14(12-16(20-3)17-10-11-19-2)9-8-13-6-4-5-7-15(13)18/h4-9,12H,10-11H2,1-3H3/p+1
InChIKey
QSUIHOOEGFXGSH-UHFFFAOYSA-O
Compound name
(E)-N-(2-methoxyethyl)-2-(1-methylquinolin-1-ium-2-yl)-1-methylsulfanylethenamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.13745 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.14473 165.9
[M+Na]+ 312.12667 172.5
[M-H]- 288.13017 168.9
[M+NH4]+ 307.17127 181.5
[M+K]+ 328.10061 162.0
[M+H-H2O]+ 272.13471 160.9
[M+HCOO]- 334.13565 181.6
[M+CH3COO]- 348.15130 197.7
[M+Na-2H]- 310.11212 171.2
[M]+ 289.13690 168.3
[M]- 289.13800 168.3
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.