CID 24845737

Quinaldinium, 4-amino-1-(2-(diethylamino)ethyl)-, chloride

Structural Information

Molecular Formula
C16H24N3
SMILES
CCN(CC)CC[N+]1=C(C=C(C2=CC=CC=C21)N)C
InChI
InChI=1S/C16H23N3/c1-4-18(5-2)10-11-19-13(3)12-15(17)14-8-6-7-9-16(14)19/h6-9,12,17H,4-5,10-11H2,1-3H3/p+1
InChIKey
YFSBPVUVFUTFMU-UHFFFAOYSA-O
Compound name
1-[2-(diethylamino)ethyl]-2-methylquinolin-1-ium-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.19702 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.20430 163.6
[M+Na]+ 281.18624 170.4
[M-H]- 257.18974 167.7
[M+NH4]+ 276.23084 180.3
[M+K]+ 297.16018 161.4
[M+H-H2O]+ 241.19428 158.2
[M+HCOO]- 303.19522 185.9
[M+CH3COO]- 317.21087 201.6
[M+Na-2H]- 279.17169 170.4
[M]+ 258.19647 164.0
[M]- 258.19757 164.0
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.