CID 5273073

2-(4-chlorophenyl)-8-methyl-5h-pyrazolo[4,3-c]quinolin-3-one

Structural Information

Molecular Formula
C17H12ClN3O
SMILES
CC1=CC2=C3C(=CN=C2C=C1)C(=O)N(N3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C17H12ClN3O/c1-10-2-7-15-13(8-10)16-14(9-19-15)17(22)21(20-16)12-5-3-11(18)4-6-12/h2-9,20H,1H3
InChIKey
IVXBWAAYSJGRKH-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-8-methyl-1H-pyrazolo[4,3-c]quinolin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

309.0669 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.07418 170.5
[M+Na]+ 332.05612 184.5
[M-H]- 308.05962 175.0
[M+NH4]+ 327.10072 185.7
[M+K]+ 348.03006 175.5
[M+H-H2O]+ 292.06416 161.4
[M+HCOO]- 354.06510 185.4
[M+CH3COO]- 368.08075 182.4
[M+Na-2H]- 330.04157 175.9
[M]+ 309.06635 174.7
[M]- 309.06745 174.7
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.