CID 373281

Nsc649432

Structural Information

Molecular Formula
C32H20N2O2
SMILES
C1C(=O)C2=CC=CC=C2C3=C(C(=NN31)C(=O)C4=CC=CC=C4C#CC5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C32H20N2O2/c35-28-21-34-31(27-18-10-9-17-26(27)28)29(24-14-5-2-6-15-24)30(33-34)32(36)25-16-8-7-13-23(25)20-19-22-11-3-1-4-12-22/h1-18H,21H2
InChIKey
ONEAINCCAAHHFR-UHFFFAOYSA-N
Compound name
1-phenyl-2-[2-(2-phenylethynyl)benzoyl]-5H-pyrazolo[5,1-a]isoquinolin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.15247 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.15975 224.7
[M+Na]+ 487.14169 235.1
[M-H]- 463.14519 230.7
[M+NH4]+ 482.18629 230.5
[M+K]+ 503.11563 219.5
[M+H-H2O]+ 447.14973 205.5
[M+HCOO]- 509.15067 234.3
[M+CH3COO]- 523.16632 229.4
[M+Na-2H]- 485.12714 221.6
[M]+ 464.15192 217.0
[M]- 464.15302 217.0
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.