CID 749966

4-(3,4-dimethoxybenzyl)phthalazin-1(2h)-one

Structural Information

Molecular Formula
C17H16N2O3
SMILES
COC1=C(C=C(C=C1)CC2=NNC(=O)C3=CC=CC=C32)OC
InChI
InChI=1S/C17H16N2O3/c1-21-15-8-7-11(10-16(15)22-2)9-14-12-5-3-4-6-13(12)17(20)19-18-14/h3-8,10H,9H2,1-2H3,(H,19,20)
InChIKey
MZTYHTIOAPBYFN-UHFFFAOYSA-N
Compound name
4-[(3,4-dimethoxyphenyl)methyl]-2H-phthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

0
Patents

296.1161 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.123376 168.3
[M+Na]+ 319.105318 178.2
[M-H]- 295.108824 172.5
[M+NH4]+ 314.149923 181.4
[M+K]+ 335.079258 172.8
[M+H-H2O]+ 279.113360 158.7
[M+HCOO]- 341.114301 187.8
[M+CH3COO]- 355.129951 201.8
[M+Na-2H]- 317.090766 174.5
[M]+ 296.11555142 171.3
[M]- 296.11664858 171.3
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.