CID 4686009

4-(2-hydroxy-5-methylphenyl)-2-phenyl-1(2h)-phthalazinone

Structural Information

Molecular Formula
C21H16N2O2
SMILES
CC1=CC(=C(C=C1)O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4
InChI
InChI=1S/C21H16N2O2/c1-14-11-12-19(24)18(13-14)20-16-9-5-6-10-17(16)21(25)23(22-20)15-7-3-2-4-8-15/h2-13,24H,1H3
InChIKey
DEZZWDCPPYGPMB-UHFFFAOYSA-N
Compound name
4-(2-hydroxy-5-methylphenyl)-2-phenylphthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.1212 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.12848 178.9
[M+Na]+ 351.11042 198.3
[M+NH4]+ 346.15502 187.4
[M+K]+ 367.08436 188.4
[M-H]- 327.11392 185.8
[M+Na-2H]- 349.09587 190.5
[M]+ 328.12065 184.0
[M]- 328.12175 184.0
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.