CID 5273070

77779-90-9

Structural Information

Molecular Formula
C17H13N3O
SMILES
CC1=CC2=C3C(=CN=C2C=C1)C(=O)N(N3)C4=CC=CC=C4
InChI
InChI=1S/C17H13N3O/c1-11-7-8-15-13(9-11)16-14(10-18-15)17(21)20(19-16)12-5-3-2-4-6-12/h2-10,19H,1H3
InChIKey
HSAXCHHARCKWQB-UHFFFAOYSA-N
Compound name
8-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

11
Patents

275.10587 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.11315 163.2
[M+Na]+ 298.09509 175.7
[M-H]- 274.09859 167.9
[M+NH4]+ 293.13969 178.8
[M+K]+ 314.06903 168.0
[M+H-H2O]+ 258.10313 153.9
[M+HCOO]- 320.10407 183.0
[M+CH3COO]- 334.11972 175.4
[M+Na-2H]- 296.08054 170.1
[M]+ 275.10532 165.0
[M]- 275.10642 165.0
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.