CID 15959130

4-benzyl-2,6-dimethyl-phthalazin-1-one

Structural Information

Molecular Formula
C17H16N2O
SMILES
CC1=CC2=C(C=C1)C(=O)N(N=C2CC3=CC=CC=C3)C
InChI
InChI=1S/C17H16N2O/c1-12-8-9-14-15(10-12)16(18-19(2)17(14)20)11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
InChIKey
JEXBJIJIHQEMMA-UHFFFAOYSA-N
Compound name
4-benzyl-2,6-dimethylphthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

264.12625 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.13353 161.6
[M+Na]+ 287.11547 172.3
[M-H]- 263.11897 167.1
[M+NH4]+ 282.16007 176.9
[M+K]+ 303.08941 166.4
[M+H-H2O]+ 247.12351 152.1
[M+HCOO]- 309.12445 182.3
[M+CH3COO]- 323.14010 173.9
[M+Na-2H]- 285.10092 168.2
[M]+ 264.12570 163.6
[M]- 264.12680 163.6
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.