CID 15959127

Chembl206094

Structural Information

Molecular Formula
C22H18N2O2
SMILES
COC1=CC=C(C=C1)CC2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4
InChI
InChI=1S/C22H18N2O2/c1-26-18-13-11-16(12-14-18)15-21-19-9-5-6-10-20(19)22(25)24(23-21)17-7-3-2-4-8-17/h2-14H,15H2,1H3
InChIKey
GHUXBTWUCFUMMA-UHFFFAOYSA-N
Compound name
4-[(4-methoxyphenyl)methyl]-2-phenylphthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

342.13684 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.14412 183.4
[M+Na]+ 365.12606 192.7
[M-H]- 341.12956 191.4
[M+NH4]+ 360.17066 194.4
[M+K]+ 381.10000 185.7
[M+H-H2O]+ 325.13410 171.5
[M+HCOO]- 387.13504 203.4
[M+CH3COO]- 401.15069 193.9
[M+Na-2H]- 363.11151 189.4
[M]+ 342.13629 185.3
[M]- 342.13739 185.3
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.