CID 478773

Chembl83022

Structural Information

Molecular Formula
C23H18N4O
SMILES
CCN1C=C2C(=NN(C2=O)C3=CC=CC=C3)C4=C1C=C(C=C4)C5=CC=NC=C5
InChI
InChI=1S/C23H18N4O/c1-2-26-15-20-22(25-27(23(20)28)18-6-4-3-5-7-18)19-9-8-17(14-21(19)26)16-10-12-24-13-11-16/h3-15H,2H2,1H3
InChIKey
ZMMBLKJOBALNHP-UHFFFAOYSA-N
Compound name
5-ethyl-2-phenyl-7-pyridin-4-ylpyrazolo[4,3-c]quinolin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

366.14807 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.15535 191.5
[M+Na]+ 389.13729 203.4
[M-H]- 365.14079 198.7
[M+NH4]+ 384.18189 201.8
[M+K]+ 405.11123 194.2
[M+H-H2O]+ 349.14533 178.8
[M+HCOO]- 411.14627 209.9
[M+CH3COO]- 425.16192 201.5
[M+Na-2H]- 387.12274 196.4
[M]+ 366.14752 194.6
[M]- 366.14862 194.6
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.