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]+ 329.128476 179.3
[M+Na]+ 351.110418 189.6
[M-H]- 327.113924 186.7
[M+NH4]+ 346.155023 190.6
[M+K]+ 367.084358 182.1
[M+H-H2O]+ 311.118460 168.3
[M+HCOO]- 373.119401 198.3
[M+CH3COO]- 387.135051 190.0
[M+Na-2H]- 349.095866 184.8
[M]+ 328.12065142 179.8
[M]- 328.12174858 179.8
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.