CID 15959091

Chembl205102

Structural Information

Molecular Formula
C21H15ClN2O
SMILES
C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=C(C=C4)Cl
InChI
InChI=1S/C21H15ClN2O/c22-16-12-10-15(11-13-16)14-20-18-8-4-5-9-19(18)21(25)24(23-20)17-6-2-1-3-7-17/h1-13H,14H2
InChIKey
HJJSPSQPNUUZPI-UHFFFAOYSA-N
Compound name
4-[(4-chlorophenyl)methyl]-2-phenylphthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

346.08728 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.09456 181.8
[M+Na]+ 369.07650 192.5
[M-H]- 345.08000 189.5
[M+NH4]+ 364.12110 193.6
[M+K]+ 385.05044 183.7
[M+H-H2O]+ 329.08454 170.5
[M+HCOO]- 391.08548 197.3
[M+CH3COO]- 405.10113 192.4
[M+Na-2H]- 367.06195 187.8
[M]+ 346.08673 184.4
[M]- 346.08783 184.4
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.