CID 15959085

Chembl377068

Structural Information

Molecular Formula
C20H16N2O
SMILES
CN1C(=O)C2=CC=CC=C2C(=N1)CC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C20H16N2O/c1-22-20(23)18-12-5-4-11-17(18)19(21-22)13-15-9-6-8-14-7-2-3-10-16(14)15/h2-12H,13H2,1H3
InChIKey
OEOLMNOARSKKPH-UHFFFAOYSA-N
Compound name
2-methyl-4-(naphthalen-1-ylmethyl)phthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

300.12625 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.13353 171.5
[M+Na]+ 323.11547 182.9
[M-H]- 299.11897 177.9
[M+NH4]+ 318.16007 185.9
[M+K]+ 339.08941 175.4
[M+H-H2O]+ 283.12351 160.8
[M+HCOO]- 345.12445 191.9
[M+CH3COO]- 359.14010 183.2
[M+Na-2H]- 321.10092 180.2
[M]+ 300.12570 174.2
[M]- 300.12680 174.2
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.