CID 15959121

Chembl207170

Structural Information

Molecular Formula
C20H20N2O3
SMILES
COC1=C(C=C(C=C1)CC2=NN(C(=O)C3=CC=CC=C32)CC=C)OC
InChI
InChI=1S/C20H20N2O3/c1-4-11-22-20(23)16-8-6-5-7-15(16)17(21-22)12-14-9-10-18(24-2)19(13-14)25-3/h4-10,13H,1,11-12H2,2-3H3
InChIKey
NWLWUMZMOWKCJD-UHFFFAOYSA-N
Compound name
4-[(3,4-dimethoxyphenyl)methyl]-2-prop-2-enylphthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

336.1474 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.154676 180.9
[M+Na]+ 359.136618 190.9
[M-H]- 335.140124 186.2
[M+NH4]+ 354.181223 193.1
[M+K]+ 375.110558 185.2
[M+H-H2O]+ 319.144660 170.5
[M+HCOO]- 381.145601 200.9
[M+CH3COO]- 395.161251 213.5
[M+Na-2H]- 357.122066 185.1
[M]+ 336.14685142 186.3
[M]- 336.14794858 186.3
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.