CID 516027

2-phenyl-5-propyl-7-(4-pyridyl)pyrazolo[4,3-c]quinolin-3-one

Structural Information

Molecular Formula
C24H20N4O
SMILES
CCCN1C=C2C(=NN(C2=O)C3=CC=CC=C3)C4=C1C=C(C=C4)C5=CC=NC=C5
InChI
InChI=1S/C24H20N4O/c1-2-14-27-16-21-23(26-28(24(21)29)19-6-4-3-5-7-19)20-9-8-18(15-22(20)27)17-10-12-25-13-11-17/h3-13,15-16H,2,14H2,1H3
InChIKey
GGYKDABDCFVFSY-UHFFFAOYSA-N
Compound name
2-phenyl-5-propyl-7-pyridin-4-ylpyrazolo[4,3-c]quinolin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

380.1637 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.17098 195.9
[M+Na]+ 403.15292 207.3
[M-H]- 379.15642 202.9
[M+NH4]+ 398.19752 205.6
[M+K]+ 419.12686 197.9
[M+H-H2O]+ 363.16096 183.0
[M+HCOO]- 425.16190 213.9
[M+CH3COO]- 439.17755 205.5
[M+Na-2H]- 401.13837 200.3
[M]+ 380.16315 199.3
[M]- 380.16425 199.3
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

No patent data available for this compound.