CID 3077019

4h-imidazo(4,5-c)quinolin-4-one, 1,5-dihydro-1,5-dimethyl-

Structural Information

Molecular Formula
C12H11N3O
SMILES
CN1C=NC2=C1C3=CC=CC=C3N(C2=O)C
InChI
InChI=1S/C12H11N3O/c1-14-7-13-10-11(14)8-5-3-4-6-9(8)15(2)12(10)16/h3-7H,1-2H3
InChIKey
KCPKRGHQVCZYTA-UHFFFAOYSA-N
Compound name
1,5-dimethylimidazo[4,5-c]quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

213.09021 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.09749 145.3
[M+Na]+ 236.07943 159.3
[M-H]- 212.08293 148.4
[M+NH4]+ 231.12403 164.8
[M+K]+ 252.05337 154.3
[M+H-H2O]+ 196.08747 137.5
[M+HCOO]- 258.08841 167.1
[M+CH3COO]- 272.10406 159.5
[M+Na-2H]- 234.06488 153.1
[M]+ 213.08966 149.8
[M]- 213.09076 149.8
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