CID 15959088

Chembl207705

Structural Information

Molecular Formula
C19H18N2O2
SMILES
COC1=CC=C(C=C1)CC2=NN(C(=O)C3=CC=CC=C32)CC=C
InChI
InChI=1S/C19H18N2O2/c1-3-12-21-19(22)17-7-5-4-6-16(17)18(20-21)13-14-8-10-15(23-2)11-9-14/h3-11H,1,12-13H2,2H3
InChIKey
NVVFWPOICSLEGP-UHFFFAOYSA-N
Compound name
4-[(4-methoxyphenyl)methyl]-2-prop-2-enylphthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

306.13684 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.14412 173.0
[M+Na]+ 329.12606 182.8
[M-H]- 305.12956 178.1
[M+NH4]+ 324.17066 186.3
[M+K]+ 345.10000 176.5
[M+H-H2O]+ 289.13410 162.9
[M+HCOO]- 351.13504 193.3
[M+CH3COO]- 365.15069 207.2
[M+Na-2H]- 327.11151 178.5
[M]+ 306.13629 176.3
[M]- 306.13739 176.3
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.