CID 15959118

Chembl207325

Structural Information

Molecular Formula
C19H20N2O3
SMILES
CCN1C(=O)C2=CC=CC=C2C(=N1)CC3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C19H20N2O3/c1-4-21-19(22)15-8-6-5-7-14(15)16(20-21)11-13-9-10-17(23-2)18(12-13)24-3/h5-10,12H,4,11H2,1-3H3
InChIKey
DYIYBSGPWFNAHB-UHFFFAOYSA-N
Compound name
4-[(3,4-dimethoxyphenyl)methyl]-2-ethylphthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

324.1474 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.15468 177.6
[M+Na]+ 347.13662 187.8
[M-H]- 323.14012 183.0
[M+NH4]+ 342.18122 190.4
[M+K]+ 363.11056 182.9
[M+H-H2O]+ 307.14466 167.3
[M+HCOO]- 369.14560 197.8
[M+CH3COO]- 383.16125 211.3
[M+Na-2H]- 345.12207 182.3
[M]+ 324.14685 183.3
[M]- 324.14795 183.3
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.