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]+ 287.11791 165.9
[M+Na]+ 309.09985 176.6
[M-H]- 285.10335 170.8
[M+NH4]+ 304.14445 180.0
[M+K]+ 325.07379 168.4
[M+H-H2O]+ 269.10789 155.8
[M+HCOO]- 331.10883 185.3
[M+CH3COO]- 345.12448 177.2
[M+Na-2H]- 307.08530 175.7
[M]+ 286.11008 166.3
[M]- 286.11118 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.