CID 845362

49572-99-8

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

36
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 152.1
[M+Na]+ 259.08418 162.8
[M-H]- 235.08768 157.6
[M+NH4]+ 254.12878 168.3
[M+K]+ 275.05812 157.3
[M+H-H2O]+ 219.09222 142.9
[M+HCOO]- 281.09316 173.5
[M+CH3COO]- 295.10881 165.0
[M+Na-2H]- 257.06963 160.6
[M]+ 236.09441 153.0
[M]- 236.09551 153.0
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

patents stripe