CID 516025

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

Structural Information

Molecular Formula
C18H16N4O
SMILES
CCCN1C=C2C(=NNC2=O)C3=C1C=C(C=C3)C4=CC=NC=C4
InChI
InChI=1S/C18H16N4O/c1-2-9-22-11-15-17(20-21-18(15)23)14-4-3-13(10-16(14)22)12-5-7-19-8-6-12/h3-8,10-11H,2,9H2,1H3,(H,21,23)
InChIKey
PXMVODNRHHLCHJ-UHFFFAOYSA-N
Compound name
5-propyl-7-pyridin-4-yl-2H-pyrazolo[4,3-c]quinolin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

304.13242 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.13970 173.0
[M+Na]+ 327.12164 184.9
[M-H]- 303.12514 176.0
[M+NH4]+ 322.16624 185.9
[M+K]+ 343.09558 176.7
[M+H-H2O]+ 287.12968 162.5
[M+HCOO]- 349.13062 190.9
[M+CH3COO]- 363.14627 183.8
[M+Na-2H]- 325.10709 179.1
[M]+ 304.13187 175.4
[M]- 304.13297 175.4
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.