CID 3077037

Brn 5821142

Structural Information

Molecular Formula
C15H17N3O2
SMILES
CCCCN1C2=CC=CC=C2C3=C(C1=O)NC(=O)N3C
InChI
InChI=1S/C15H17N3O2/c1-3-4-9-18-11-8-6-5-7-10(11)13-12(14(18)19)16-15(20)17(13)2/h5-8H,3-4,9H2,1-2H3,(H,16,20)
InChIKey
SSUNWRQEYFCYRL-UHFFFAOYSA-N
Compound name
5-butyl-1-methyl-3H-imidazo[4,5-c]quinoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

271.13208 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.13936 162.4
[M+Na]+ 294.12130 177.8
[M+NH4]+ 289.16590 169.4
[M+K]+ 310.09524 172.1
[M-H]- 270.12480 163.1
[M+Na-2H]- 292.10675 167.0
[M]+ 271.13153 164.8
[M]- 271.13263 164.8
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