CID 478772

Chembl86196

Structural Information

Molecular Formula
C18H16N4O
SMILES
CCN1C=C2C(=NN(C2=O)C)C3=C1C=C(C=C3)C4=CC=NC=C4
InChI
InChI=1S/C18H16N4O/c1-3-22-11-15-17(20-21(2)18(15)23)14-5-4-13(10-16(14)22)12-6-8-19-9-7-12/h4-11H,3H2,1-2H3
InChIKey
USCCBWKJENIJKC-UHFFFAOYSA-N
Compound name
5-ethyl-2-methyl-7-pyridin-4-ylpyrazolo[4,3-c]quinolin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

304.13242 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.13970 174.0
[M+Na]+ 327.12164 187.3
[M-H]- 303.12514 178.7
[M+NH4]+ 322.16624 187.8
[M+K]+ 343.09558 179.8
[M+H-H2O]+ 287.12968 163.4
[M+HCOO]- 349.13062 193.3
[M+CH3COO]- 363.14627 185.7
[M+Na-2H]- 325.10709 179.6
[M]+ 304.13187 178.6
[M]- 304.13297 178.6
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.