CID 15959134

4-[(3,4-dichlorophenyl)methyl]-2,6-dimethyl-phthalazin-1-one

Structural Information

Molecular Formula
C17H14Cl2N2O
SMILES
CC1=CC2=C(C=C1)C(=O)N(N=C2CC3=CC(=C(C=C3)Cl)Cl)C
InChI
InChI=1S/C17H14Cl2N2O/c1-10-3-5-12-13(7-10)16(20-21(2)17(12)22)9-11-4-6-14(18)15(19)8-11/h3-8H,9H2,1-2H3
InChIKey
BMHQXSIRLJRWNB-UHFFFAOYSA-N
Compound name
4-[(3,4-dichlorophenyl)methyl]-2,6-dimethylphthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

332.0483 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.05558 173.2
[M+Na]+ 355.03752 186.5
[M-H]- 331.04102 178.1
[M+NH4]+ 350.08212 187.5
[M+K]+ 371.01146 178.4
[M+H-H2O]+ 315.04556 164.8
[M+HCOO]- 377.04650 183.9
[M+CH3COO]- 391.06215 184.8
[M+Na-2H]- 353.02297 176.9
[M]+ 332.04775 179.3
[M]- 332.04885 179.3
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.