CID 3077023

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

Structural Information

Molecular Formula
C14H15N3O
SMILES
CCCCN1C2=CC=CC=C2C3=C(C1=O)NC=N3
InChI
InChI=1S/C14H15N3O/c1-2-3-8-17-11-7-5-4-6-10(11)12-13(14(17)18)16-9-15-12/h4-7,9H,2-3,8H2,1H3,(H,15,16)
InChIKey
CMNZSDIHSVINAQ-UHFFFAOYSA-N
Compound name
5-butyl-3H-imidazo[4,5-c]quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

241.1215 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.12878 154.6
[M+Na]+ 264.11072 166.3
[M-H]- 240.11422 155.5
[M+NH4]+ 259.15532 171.9
[M+K]+ 280.08466 160.0
[M+H-H2O]+ 224.11876 146.4
[M+HCOO]- 286.11970 174.2
[M+CH3COO]- 300.13535 166.9
[M+Na-2H]- 262.09617 161.7
[M]+ 241.12095 157.6
[M]- 241.12205 157.6
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