CID 15959087

Chembl205810

Structural Information

Molecular Formula
C18H18N2O2
SMILES
CCN1C(=O)C2=CC=CC=C2C(=N1)CC3=CC=C(C=C3)OC
InChI
InChI=1S/C18H18N2O2/c1-3-20-18(21)16-7-5-4-6-15(16)17(19-20)12-13-8-10-14(22-2)11-9-13/h4-11H,3,12H2,1-2H3
InChIKey
JNMURBFDBBPCEP-UHFFFAOYSA-N
Compound name
2-ethyl-4-[(4-methoxyphenyl)methyl]phthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

294.13684 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.14412 169.6
[M+Na]+ 317.12606 179.6
[M-H]- 293.12956 174.9
[M+NH4]+ 312.17066 183.5
[M+K]+ 333.10000 174.1
[M+H-H2O]+ 277.13410 159.6
[M+HCOO]- 339.13504 190.1
[M+CH3COO]- 353.15069 181.2
[M+Na-2H]- 315.11151 175.6
[M]+ 294.13629 173.3
[M]- 294.13739 173.3
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.