CID 3572241

401607-13-4

Structural Information

Molecular Formula
C20H13ClN2O2
SMILES
C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C4=C(C=CC(=C4)Cl)O
InChI
InChI=1S/C20H13ClN2O2/c21-13-10-11-18(24)17(12-13)19-15-8-4-5-9-16(15)20(25)23(22-19)14-6-2-1-3-7-14/h1-12,24H
InChIKey
CCAUCFUPUIFUSH-UHFFFAOYSA-N
Compound name
4-(5-chloro-2-hydroxyphenyl)-2-phenylphthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.06656 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.07384 180.5
[M+Na]+ 371.05578 191.9
[M-H]- 347.05928 187.6
[M+NH4]+ 366.10038 191.8
[M+K]+ 387.02972 183.4
[M+H-H2O]+ 331.06382 169.9
[M+HCOO]- 393.06476 195.1
[M+CH3COO]- 407.08041 191.2
[M+Na-2H]- 369.04123 186.0
[M]+ 348.06601 183.0
[M]- 348.06711 183.0
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.