CID 3077207

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

Structural Information

Molecular Formula
C17H21N3O
SMILES
CCCCN1C2=CC=CC=C2C3=C(C1=O)N(C=N3)CCC
InChI
InChI=1S/C17H21N3O/c1-3-5-11-20-14-9-7-6-8-13(14)15-16(17(20)21)19(10-4-2)12-18-15/h6-9,12H,3-5,10-11H2,1-2H3
InChIKey
KLEGTNAEZOPPGE-UHFFFAOYSA-N
Compound name
5-butyl-3-propylimidazo[4,5-c]quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

283.16846 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.17574 168.8
[M+Na]+ 306.15768 180.3
[M-H]- 282.16118 170.8
[M+NH4]+ 301.20228 185.3
[M+K]+ 322.13162 174.2
[M+H-H2O]+ 266.16572 159.8
[M+HCOO]- 328.16666 188.7
[M+CH3COO]- 342.18231 180.6
[M+Na-2H]- 304.14313 173.7
[M]+ 283.16791 174.8
[M]- 283.16901 174.8
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