CID 3077025

4h-imidazo(4,5-c)quinolin-4-one, 1,5-dihydro-5-butyl-1-ethyl-, monohydrochloride, hydrate

Structural Information

Molecular Formula
C16H19N3O
SMILES
CCCCN1C2=CC=CC=C2C3=C(C1=O)N=CN3CC
InChI
InChI=1S/C16H19N3O/c1-3-5-10-19-13-9-7-6-8-12(13)15-14(16(19)20)17-11-18(15)4-2/h6-9,11H,3-5,10H2,1-2H3
InChIKey
FIWQKTNVXOYOAY-UHFFFAOYSA-N
Compound name
5-butyl-1-ethylimidazo[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 164.1
[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

literature stripe

Patent stripe

patents stripe