CID 4962866

109740-09-2

Structural Information

Molecular Formula
C16H11N3O
SMILES
C1=CC=C(C=C1)N2C=C3C4=CC=CC=C4NC(=O)C3=N2
InChI
InChI=1S/C16H11N3O/c20-16-15-13(12-8-4-5-9-14(12)17-16)10-19(18-15)11-6-2-1-3-7-11/h1-10H,(H,17,20)
InChIKey
ISMLHIIGSRUCOQ-UHFFFAOYSA-N
Compound name
2-phenyl-5H-pyrazolo[3,4-c]quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

6
Patents

261.0902 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.09748 157.9
[M+Na]+ 284.07942 175.8
[M+NH4]+ 279.12402 166.9
[M+K]+ 300.05336 168.7
[M-H]- 260.08292 162.0
[M+Na-2H]- 282.06487 167.5
[M]+ 261.08965 161.8
[M]- 261.09075 161.8
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