CID 104916

77779-60-3

Structural Information

Molecular Formula
C16H11N3O
SMILES
C1=CC=C(C=C1)N2C(=O)C3=C(N2)C4=CC=CC=C4N=C3
InChI
InChI=1S/C16H11N3O/c20-16-13-10-17-14-9-5-4-8-12(14)15(13)18-19(16)11-6-2-1-3-7-11/h1-10,18H
InChIKey
XTYGFVVANLMBHE-UHFFFAOYSA-N
Compound name
2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

184
References

67
Patents

261.0902 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.09748 157.8
[M+Na]+ 284.07942 169.8
[M-H]- 260.08292 162.2
[M+NH4]+ 279.12402 173.6
[M+K]+ 300.05336 162.3
[M+H-H2O]+ 244.08746 148.4
[M+HCOO]- 306.08840 178.0
[M+CH3COO]- 320.10405 170.1
[M+Na-2H]- 282.06487 166.0
[M]+ 261.08965 158.8
[M]- 261.09075 158.8
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