CID 155821076

2-{3h-imidazo[4,5-c]quinolin-2-yl}ethan-1-amine dihydrochloride

Structural Information

Molecular Formula
C12H12N4
SMILES
C1=CC=C2C(=C1)C3=C(C=N2)NC(=N3)CCN
InChI
InChI=1S/C12H12N4/c13-6-5-11-15-10-7-14-9-4-2-1-3-8(9)12(10)16-11/h1-4,7H,5-6,13H2,(H,15,16)
InChIKey
MSPIIRFCKYKSLG-UHFFFAOYSA-N
Compound name
2-(3H-imidazo[4,5-c]quinolin-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

212.1062 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.113476 145.0
[M+Na]+ 235.095418 155.7
[M-H]- 211.098924 145.4
[M+NH4]+ 230.140023 162.8
[M+K]+ 251.069358 149.6
[M+H-H2O]+ 195.103460 136.9
[M+HCOO]- 257.104401 165.5
[M+CH3COO]- 271.120051 157.3
[M+Na-2H]- 233.080866 153.8
[M]+ 212.10565142 144.7
[M]- 212.10674858 144.7
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.