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]+ 265.133526 161.6
[M+Na]+ 287.115468 172.3
[M-H]- 263.118974 167.1
[M+NH4]+ 282.160073 176.9
[M+K]+ 303.089408 166.4
[M+H-H2O]+ 247.123510 152.1
[M+HCOO]- 309.124451 182.3
[M+CH3COO]- 323.140101 173.9
[M+Na-2H]- 285.100916 168.2
[M]+ 264.12570142 163.6
[M]- 264.12679858 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.