CID 3077203

4h-imidazo(4,5-c)quinolin-4-one, 3,5-dihydro-5-butyl-3-methyl-

Structural Information

Molecular Formula
C15H17N3O
SMILES
CCCCN1C2=CC=CC=C2C3=C(C1=O)N(C=N3)C
InChI
InChI=1S/C15H17N3O/c1-3-4-9-18-12-8-6-5-7-11(12)13-14(15(18)19)17(2)10-16-13/h5-8,10H,3-4,9H2,1-2H3
InChIKey
IAQMCRJUNZGQGL-UHFFFAOYSA-N
Compound name
5-butyl-3-methylimidazo[4,5-c]quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

255.13716 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.14444 159.4
[M+Na]+ 278.12638 172.0
[M-H]- 254.12988 161.9
[M+NH4]+ 273.17098 177.2
[M+K]+ 294.10032 166.3
[M+H-H2O]+ 238.13442 151.0
[M+HCOO]- 300.13536 180.1
[M+CH3COO]- 314.15101 172.2
[M+Na-2H]- 276.11183 165.5
[M]+ 255.13661 164.9
[M]- 255.13771 164.9
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