CID 16213849

2-(4-methylphenyl)phthalazin-1(2h)-one

Structural Information

Molecular Formula
C15H12N2O
SMILES
CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C=N2
InChI
InChI=1S/C15H12N2O/c1-11-6-8-13(9-7-11)17-15(18)14-5-3-2-4-12(14)10-16-17/h2-10H,1H3
InChIKey
ZJWOALHADJZGJS-UHFFFAOYSA-N
Compound name
2-(4-methylphenyl)phthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

236.09496 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.102236 152.1
[M+Na]+ 259.084178 162.8
[M-H]- 235.087684 157.6
[M+NH4]+ 254.128783 168.3
[M+K]+ 275.058118 157.3
[M+H-H2O]+ 219.092220 142.9
[M+HCOO]- 281.093161 173.5
[M+CH3COO]- 295.108811 165.0
[M+Na-2H]- 257.069626 160.6
[M]+ 236.09441142 153.0
[M]- 236.09550858 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