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]+ 297.12338 168.3
[M+Na]+ 319.10532 178.2
[M-H]- 295.10882 172.5
[M+NH4]+ 314.14992 181.4
[M+K]+ 335.07926 172.8
[M+H-H2O]+ 279.11336 158.7
[M+HCOO]- 341.11430 187.8
[M+CH3COO]- 355.12995 201.8
[M+Na-2H]- 317.09077 174.5
[M]+ 296.11555 171.3
[M]- 296.11665 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.