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]+ 353.18596 186.7
[M+Na]+ 375.16790 196.0
[M-H]- 351.17140 191.8
[M+NH4]+ 370.21250 198.4
[M+K]+ 391.14184 190.6
[M+H-H2O]+ 335.17594 176.0
[M+HCOO]- 397.17688 206.2
[M+CH3COO]- 411.19253 217.2
[M+Na-2H]- 373.15335 190.4
[M]+ 352.17813 193.1
[M]- 352.17923 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.