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

3
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 162.6
[M+Na]+ 294.12130 175.7
[M-H]- 270.12480 164.1
[M+NH4]+ 289.16590 179.1
[M+K]+ 310.09524 169.2
[M+H-H2O]+ 254.12934 154.7
[M+HCOO]- 316.13028 182.1
[M+CH3COO]- 330.14593 174.9
[M+Na-2H]- 292.10675 167.6
[M]+ 271.13153 167.4
[M]- 271.13263 167.4
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

No patent data available for this compound.