CID 689103

57353-93-2

Structural Information

Molecular Formula
C15H12N2O2
SMILES
COC1=CC=C(C=C1)C2=NNC(=O)C3=CC=CC=C32
InChI
InChI=1S/C15H12N2O2/c1-19-11-8-6-10(7-9-11)14-12-4-2-3-5-13(12)15(18)17-16-14/h2-9H,1H3,(H,17,18)
InChIKey
RYLLTTFNKPGBNO-UHFFFAOYSA-N
Compound name
4-(4-methoxyphenyl)-2H-phthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

252.08987 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.09715 155.7
[M+Na]+ 275.07909 165.8
[M-H]- 251.08259 159.9
[M+NH4]+ 270.12369 170.4
[M+K]+ 291.05303 160.1
[M+H-H2O]+ 235.08713 146.6
[M+HCOO]- 297.08807 175.8
[M+CH3COO]- 311.10372 167.7
[M+Na-2H]- 273.06454 163.8
[M]+ 252.08932 156.2
[M]- 252.09042 156.2
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

patents stripe