CID 745851

389126-76-5

Structural Information

Molecular Formula
C17H14N2O3
SMILES
COC(=O)CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC=CC=C3
InChI
InChI=1S/C17H14N2O3/c1-22-15(20)11-19-17(21)14-10-6-5-9-13(14)16(18-19)12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChIKey
QEVVWQMLRGPHMT-UHFFFAOYSA-N
Compound name
methyl 2-(1-oxo-4-phenylphthalazin-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

294.10043 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.10771 166.7
[M+Na]+ 317.08965 176.1
[M-H]- 293.09315 172.0
[M+NH4]+ 312.13425 180.1
[M+K]+ 333.06359 171.5
[M+H-H2O]+ 277.09769 156.8
[M+HCOO]- 339.09863 186.9
[M+CH3COO]- 353.11428 202.4
[M+Na-2H]- 315.07510 173.0
[M]+ 294.09988 169.7
[M]- 294.10098 169.7
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

No patent data available for this compound.