CID 100812

77779-50-1

Structural Information

Molecular Formula
C17H13N3O2
SMILES
COC1=CC=C(C=C1)N2C(=O)C3=C(N2)C4=CC=CC=C4N=C3
InChI
InChI=1S/C17H13N3O2/c1-22-12-8-6-11(7-9-12)20-17(21)14-10-18-15-5-3-2-4-13(15)16(14)19-20/h2-10,19H,1H3
InChIKey
FTHGIXILGYJOBQ-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

36
References

105
Patents

291.10077 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.10805 166.2
[M+Na]+ 314.08999 178.4
[M-H]- 290.09349 170.8
[M+NH4]+ 309.13459 181.0
[M+K]+ 330.06393 171.4
[M+H-H2O]+ 274.09803 156.7
[M+HCOO]- 336.09897 186.1
[M+CH3COO]- 350.11462 178.1
[M+Na-2H]- 312.07544 173.2
[M]+ 291.10022 169.3
[M]- 291.10132 169.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.