CID 354205

2-(2,2-bis((2-(dimethylamino)ethyl)amino)vinyl)-1-methylquinolinium iodide

Structural Information

Molecular Formula
C20H32N5
SMILES
C[N+]1=C(C=CC2=CC=CC=C21)C=C(NCCN(C)C)NCCN(C)C
InChI
InChI=1S/C20H31N5/c1-23(2)14-12-21-20(22-13-15-24(3)4)16-18-11-10-17-8-6-7-9-19(17)25(18)5/h6-11,16H,12-15H2,1-5H3,(H,21,22)/p+1
InChIKey
ZKHGZFKQTDKCAO-UHFFFAOYSA-O
Compound name
1-N,1-N'-bis[2-(dimethylamino)ethyl]-2-(1-methylquinolin-1-ium-2-yl)ethene-1,1-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

342.26578 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.27306 186.3
[M+Na]+ 365.25500 188.7
[M-H]- 341.25850 191.2
[M+NH4]+ 360.29960 199.2
[M+K]+ 381.22894 180.7
[M+H-H2O]+ 325.26304 179.0
[M+HCOO]- 387.26398 209.5
[M+CH3COO]- 401.27963 225.5
[M+Na-2H]- 363.24045 192.0
[M]+ 342.26523 187.0
[M]- 342.26633 187.0
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.