CID 3077205

4h-imidazo(4,5-c)quinolin-4-one, 3,5-dihydro-5-butyl-3-ethyl-, monohydrochloride

Structural Information

Molecular Formula
C16H19N3O
SMILES
CCCCN1C2=CC=CC=C2C3=C(C1=O)N(C=N3)CC
InChI
InChI=1S/C16H19N3O/c1-3-5-10-19-13-9-7-6-8-12(13)14-15(16(19)20)18(4-2)11-17-14/h6-9,11H,3-5,10H2,1-2H3
InChIKey
MEEUDKZUCKWHPN-UHFFFAOYSA-N
Compound name
5-butyl-3-ethylimidazo[4,5-c]quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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 164.1
[M+Na]+ 292.14202 176.2
[M-H]- 268.14552 166.4
[M+NH4]+ 287.18662 181.2
[M+K]+ 308.11596 170.2
[M+H-H2O]+ 252.15006 155.4
[M+HCOO]- 314.15100 184.4
[M+CH3COO]- 328.16665 176.4
[M+Na-2H]- 290.12747 169.6
[M]+ 269.15225 169.9
[M]- 269.15335 169.9
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