CID 15959116

Chembl308666

Structural Information

Molecular Formula
C19H20N2O4
SMILES
CN1C(=O)C2=CC=CC=C2C(=N1)CC3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C19H20N2O4/c1-21-19(22)14-8-6-5-7-13(14)15(20-21)9-12-10-16(23-2)18(25-4)17(11-12)24-3/h5-8,10-11H,9H2,1-4H3
InChIKey
VQXNHOPNBXIUCU-UHFFFAOYSA-N
Compound name
2-methyl-4-[(3,4,5-trimethoxyphenyl)methyl]phthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

340.1423 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.14958 180.7
[M+Na]+ 363.13152 191.6
[M-H]- 339.13502 186.6
[M+NH4]+ 358.17612 193.0
[M+K]+ 379.10546 187.5
[M+H-H2O]+ 323.13956 170.4
[M+HCOO]- 385.14050 201.0
[M+CH3COO]- 399.15615 214.7
[M+Na-2H]- 361.11697 184.8
[M]+ 340.14175 188.3
[M]- 340.14285 188.3
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.