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 179.3
[M+Na]+ 351.11042 189.6
[M-H]- 327.11392 186.7
[M+NH4]+ 346.15502 190.6
[M+K]+ 367.08436 182.1
[M+H-H2O]+ 311.11846 168.3
[M+HCOO]- 373.11940 198.3
[M+CH3COO]- 387.13505 190.0
[M+Na-2H]- 349.09587 184.8
[M]+ 328.12065 179.8
[M]- 328.12175 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.