CID 167739575

4-amino-1-(10-iododecyl)-2-methylquinolin-1-ium iodide

Structural Information

Molecular Formula
C20H30IN2
SMILES
CC1=[N+](C2=CC=CC=C2C(=C1)N)CCCCCCCCCCI
InChI
InChI=1S/C20H29IN2/c1-17-16-19(22)18-12-8-9-13-20(18)23(17)15-11-7-5-3-2-4-6-10-14-21/h8-9,12-13,16,22H,2-7,10-11,14-15H2,1H3/p+1
InChIKey
GCGKFEJXQXBLHM-UHFFFAOYSA-O
Compound name
1-(10-iododecyl)-2-methylquinolin-1-ium-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.14536 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.15264 194.2
[M+Na]+ 448.13458 192.6
[M-H]- 424.13808 188.7
[M+NH4]+ 443.17918 203.3
[M+K]+ 464.10852 187.2
[M+H-H2O]+ 408.14262 184.3
[M+HCOO]- 470.14356 208.1
[M+CH3COO]- 484.15921 215.2
[M+Na-2H]- 446.12003 186.3
[M]+ 425.14481 192.6
[M]- 425.14591 192.6
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.