CID 230918

4-oxo-3-phenyl-3,4-dihydrophthalazine-1-carboxylic acid

Structural Information

Molecular Formula
C15H10N2O3
SMILES
C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)O
InChI
InChI=1S/C15H10N2O3/c18-14-12-9-5-4-8-11(12)13(15(19)20)16-17(14)10-6-2-1-3-7-10/h1-9H,(H,19,20)
InChIKey
IDQNQFANWGYNHH-UHFFFAOYSA-N
Compound name
4-oxo-3-phenylphthalazine-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

266.06915 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.07643 157.5
[M+Na]+ 289.05837 167.3
[M-H]- 265.06187 161.8
[M+NH4]+ 284.10297 171.3
[M+K]+ 305.03231 162.3
[M+H-H2O]+ 249.06641 148.4
[M+HCOO]- 311.06735 177.0
[M+CH3COO]- 325.08300 169.3
[M+Na-2H]- 287.04382 164.5
[M]+ 266.06860 158.1
[M]- 266.06970 158.1
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.