CID 3077034

Brn 5820164

Structural Information

Molecular Formula
C16H19N3O
SMILES
CCCCN1C2=C(C=C(C=C2)C)C3=C(C1=O)N=CN3C
InChI
InChI=1S/C16H19N3O/c1-4-5-8-19-13-7-6-11(2)9-12(13)15-14(16(19)20)17-10-18(15)3/h6-7,9-10H,4-5,8H2,1-3H3
InChIKey
JAELTPJMENJSEX-UHFFFAOYSA-N
Compound name
5-butyl-1,8-dimethylimidazo[4,5-c]quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

269.1528 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.16008 164.4
[M+Na]+ 292.14202 177.4
[M-H]- 268.14552 167.1
[M+NH4]+ 287.18662 181.9
[M+K]+ 308.11596 171.5
[M+H-H2O]+ 252.15006 156.1
[M+HCOO]- 314.15100 184.7
[M+CH3COO]- 328.16665 177.1
[M+Na-2H]- 290.12747 169.2
[M]+ 269.15225 170.6
[M]- 269.15335 170.6
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