CID 5273072

Chembl4246760

Structural Information

Molecular Formula
C17H12FN3O
SMILES
CC1=CC2=C3C(=CN=C2C=C1)C(=O)N(N3)C4=CC=C(C=C4)F
InChI
InChI=1S/C17H12FN3O/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
MDHICFKSJUFQOE-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-8-methyl-1H-pyrazolo[4,3-c]quinolin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

293.09644 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.10372 166.9
[M+Na]+ 316.08566 180.3
[M-H]- 292.08916 170.5
[M+NH4]+ 311.13026 181.9
[M+K]+ 332.05960 172.1
[M+H-H2O]+ 276.09370 156.8
[M+HCOO]- 338.09464 185.5
[M+CH3COO]- 352.11029 178.7
[M+Na-2H]- 314.07111 172.3
[M]+ 293.09589 168.1
[M]- 293.09699 168.1
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.