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

3
Patents

283.16846 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.175736 168.8
[M+Na]+ 306.157678 180.3
[M-H]- 282.161184 170.8
[M+NH4]+ 301.202283 185.3
[M+K]+ 322.131618 174.2
[M+H-H2O]+ 266.165720 159.8
[M+HCOO]- 328.166661 188.7
[M+CH3COO]- 342.182311 180.6
[M+Na-2H]- 304.143126 173.7
[M]+ 283.16791142 174.8
[M]- 283.16900858 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