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]+ 256.144436 159.4
[M+Na]+ 278.126378 172.0
[M-H]- 254.129884 161.9
[M+NH4]+ 273.170983 177.2
[M+K]+ 294.100318 166.3
[M+H-H2O]+ 238.134420 151.0
[M+HCOO]- 300.135361 180.1
[M+CH3COO]- 314.151011 172.2
[M+Na-2H]- 276.111826 165.5
[M]+ 255.13661142 164.9
[M]- 255.13770858 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