CID 15959082

Chembl307117

Structural Information

Molecular Formula
C18H18N2O4
SMILES
COC1=CC(=CC(=C1OC)OC)CC2=NNC(=O)C3=CC=CC=C32
InChI
InChI=1S/C18H18N2O4/c1-22-15-9-11(10-16(23-2)17(15)24-3)8-14-12-6-4-5-7-13(12)18(21)20-19-14/h4-7,9-10H,8H2,1-3H3,(H,20,21)
InChIKey
JYJIMRDMHQZVOJ-UHFFFAOYSA-N
Compound name
4-[(3,4,5-trimethoxyphenyl)methyl]-2H-phthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

326.12665 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.13393 176.1
[M+Na]+ 349.11587 186.1
[M-H]- 325.11937 180.5
[M+NH4]+ 344.16047 188.1
[M+K]+ 365.08981 181.4
[M+H-H2O]+ 309.12391 166.2
[M+HCOO]- 371.12485 195.4
[M+CH3COO]- 385.14050 208.2
[M+Na-2H]- 347.10132 181.1
[M]+ 326.12610 181.2
[M]- 326.12720 181.2
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.