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]+ 341.149576 180.7
[M+Na]+ 363.131518 191.6
[M-H]- 339.135024 186.6
[M+NH4]+ 358.176123 193.0
[M+K]+ 379.105458 187.5
[M+H-H2O]+ 323.139560 170.4
[M+HCOO]- 385.140501 201.0
[M+CH3COO]- 399.156151 214.7
[M+Na-2H]- 361.116966 184.8
[M]+ 340.14175142 188.3
[M]- 340.14284858 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.