CID 15959113

Chembl207546

Structural Information

Molecular Formula
C19H14N2O
SMILES
C1=CC=C2C=C(C=CC2=C1)CC3=NNC(=O)C4=CC=CC=C43
InChI
InChI=1S/C19H14N2O/c22-19-17-8-4-3-7-16(17)18(20-21-19)12-13-9-10-14-5-1-2-6-15(14)11-13/h1-11H,12H2,(H,21,22)
InChIKey
JIWDGFZAUIRGRG-UHFFFAOYSA-N
Compound name
4-(naphthalen-2-ylmethyl)-2H-phthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

286.11063 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.117906 165.9
[M+Na]+ 309.099848 176.6
[M-H]- 285.103354 170.8
[M+NH4]+ 304.144453 180.0
[M+K]+ 325.073788 168.4
[M+H-H2O]+ 269.107890 155.8
[M+HCOO]- 331.108831 185.3
[M+CH3COO]- 345.124481 177.2
[M+Na-2H]- 307.085296 175.7
[M]+ 286.11008142 166.3
[M]- 286.11117858 166.3
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.