CID 15959098

6,7-dichloro-4-[(4-methoxyphenyl)methyl]-2h-phthalazin-1-one

Structural Information

Molecular Formula
C16H12Cl2N2O2
SMILES
COC1=CC=C(C=C1)CC2=NNC(=O)C3=CC(=C(C=C32)Cl)Cl
InChI
InChI=1S/C16H12Cl2N2O2/c1-22-10-4-2-9(3-5-10)6-15-11-7-13(17)14(18)8-12(11)16(21)20-19-15/h2-5,7-8H,6H2,1H3,(H,20,21)
InChIKey
SGEOPVWNEACYIE-UHFFFAOYSA-N
Compound name
6,7-dichloro-4-[(4-methoxyphenyl)methyl]-2H-phthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

334.0276 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.03488 171.0
[M+Na]+ 357.01682 183.3
[M-H]- 333.02032 174.5
[M+NH4]+ 352.06142 184.3
[M+K]+ 372.99076 175.3
[M+H-H2O]+ 317.02486 163.0
[M+HCOO]- 379.02580 180.9
[M+CH3COO]- 393.04145 182.0
[M+Na-2H]- 355.00227 175.8
[M]+ 334.02705 176.1
[M]- 334.02815 176.1
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.