CID 53462

76180-96-6

Structural Information

Molecular Formula
C11H10N4
SMILES
CN1C2=C(C3=C(C=C2)N=CC=C3)N=C1N
InChI
InChI=1S/C11H10N4/c1-15-9-5-4-8-7(3-2-6-13-8)10(9)14-11(15)12/h2-6H,1H3,(H2,12,14)
InChIKey
ARZWATDYIYAUTA-UHFFFAOYSA-N
Compound name
3-methylimidazo[4,5-f]quinolin-2-amine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

239
References

298
Patents

198.09055 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.097826 141.4
[M+Na]+ 221.079768 154.0
[M-H]- 197.083274 143.8
[M+NH4]+ 216.124373 160.8
[M+K]+ 237.053708 148.8
[M+H-H2O]+ 181.087810 133.5
[M+HCOO]- 243.088751 163.7
[M+CH3COO]- 257.104401 155.1
[M+Na-2H]- 219.065216 150.3
[M]+ 198.09000142 143.0
[M]- 198.09109858 143.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe