CID 13190952

4-(naphthalen-1-ylmethyl)phthalazin-1(2h)-one

Structural Information

Molecular Formula
C19H14N2O
SMILES
C1=CC=C2C(=C1)C=CC=C2CC3=NNC(=O)C4=CC=CC=C43
InChI
InChI=1S/C19H14N2O/c22-19-17-11-4-3-10-16(17)18(20-21-19)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-11H,12H2,(H,21,22)
InChIKey
ZKLZDGAZFKPCCL-UHFFFAOYSA-N
Compound name
4-(naphthalen-1-ylmethyl)-2H-phthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
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

patents stripe