CID 845362

2-methyl-4-phenylphthalazin-1(2h)-one

Structural Information

Molecular Formula
C15H12N2O
SMILES
CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC=CC=C3
InChI
InChI=1S/C15H12N2O/c1-17-15(18)13-10-6-5-9-12(13)14(16-17)11-7-3-2-4-8-11/h2-10H,1H3
InChIKey
QRDOSBPOPGXXHQ-UHFFFAOYSA-N
Compound name
2-methyl-4-phenylphthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

236.09496 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.10224 152.0
[M+Na]+ 259.08418 170.1
[M+NH4]+ 254.12878 161.4
[M+K]+ 275.05812 161.0
[M-H]- 235.08768 157.1
[M+Na-2H]- 257.06963 162.8
[M]+ 236.09441 156.3
[M]- 236.09551 156.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.