CID 15959089

Chembl379270

Structural Information

Molecular Formula
C21H24N2O3
SMILES
CCCCN1C(=O)C2=CC=CC=C2C(=N1)CC3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C21H24N2O3/c1-4-5-12-23-21(24)17-9-7-6-8-16(17)18(22-23)13-15-10-11-19(25-2)20(14-15)26-3/h6-11,14H,4-5,12-13H2,1-3H3
InChIKey
KUBQYKBROJDDDI-UHFFFAOYSA-N
Compound name
2-butyl-4-[(3,4-dimethoxyphenyl)methyl]phthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

352.17868 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.185956 186.7
[M+Na]+ 375.167898 196.0
[M-H]- 351.171404 191.8
[M+NH4]+ 370.212503 198.4
[M+K]+ 391.141838 190.6
[M+H-H2O]+ 335.175940 176.0
[M+HCOO]- 397.176881 206.2
[M+CH3COO]- 411.192531 217.2
[M+Na-2H]- 373.153346 190.4
[M]+ 352.17813142 193.1
[M]- 352.17922858 193.1
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.