CID 18369291

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

Structural Information

Molecular Formula
C11H10N4
SMILES
C1=CC=C2C(=C1)C3=C(C=N2)NC(=N3)CN
InChI
InChI=1S/C11H10N4/c12-5-10-14-9-6-13-8-4-2-1-3-7(8)11(9)15-10/h1-4,6H,5,12H2,(H,14,15)
InChIKey
NKVLLSXYCVOPMQ-UHFFFAOYSA-N
Compound name
3H-imidazo[4,5-c]quinolin-2-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

198.09055 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.097826 140.4
[M+Na]+ 221.079768 151.6
[M-H]- 197.083274 141.1
[M+NH4]+ 216.124373 158.8
[M+K]+ 237.053708 145.7
[M+H-H2O]+ 181.087810 132.6
[M+HCOO]- 243.088751 161.3
[M+CH3COO]- 257.104401 153.2
[M+Na-2H]- 219.065216 149.8
[M]+ 198.09000142 139.9
[M]- 198.09109858 139.9
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

patents stripe