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]+ 292.108046 166.2
[M+Na]+ 314.089988 178.4
[M-H]- 290.093494 170.8
[M+NH4]+ 309.134593 181.0
[M+K]+ 330.063928 171.4
[M+H-H2O]+ 274.098030 156.7
[M+HCOO]- 336.098971 186.1
[M+CH3COO]- 350.114621 178.1
[M+Na-2H]- 312.075436 173.2
[M]+ 291.10022142 169.3
[M]- 291.10131858 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

literature stripe

Patent stripe

patents stripe