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

6
Patents

241.1215 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.128776 154.6
[M+Na]+ 264.110718 166.3
[M-H]- 240.114224 155.5
[M+NH4]+ 259.155323 171.9
[M+K]+ 280.084658 160.0
[M+H-H2O]+ 224.118760 146.4
[M+HCOO]- 286.119701 174.2
[M+CH3COO]- 300.135351 166.9
[M+Na-2H]- 262.096166 161.7
[M]+ 241.12095142 157.6
[M]- 241.12204858 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