CID 15959119

Chembl207277

Structural Information

Molecular Formula
C18H15ClN2O
SMILES
C=CCN1C(=O)C2=CC=CC=C2C(=N1)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H15ClN2O/c1-2-11-21-18(22)16-6-4-3-5-15(16)17(20-21)12-13-7-9-14(19)10-8-13/h2-10H,1,11-12H2
InChIKey
OHEWOPKEAKDVRX-UHFFFAOYSA-N
Compound name
4-[(4-chlorophenyl)methyl]-2-prop-2-enylphthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

310.08728 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.09456 171.3
[M+Na]+ 333.07650 182.5
[M-H]- 309.08000 176.2
[M+NH4]+ 328.12110 185.4
[M+K]+ 349.05044 174.3
[M+H-H2O]+ 293.08454 161.9
[M+HCOO]- 355.08548 187.1
[M+CH3COO]- 369.10113 182.7
[M+Na-2H]- 331.06195 176.8
[M]+ 310.08673 175.0
[M]- 310.08783 175.0
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

No patent data available for this compound.