CID 15959123

Chembl207768

Structural Information

Molecular Formula
C20H22N2O2
SMILES
CCCCN1C(=O)C2=CC=CC=C2C(=N1)CC3=CC=C(C=C3)OC
InChI
InChI=1S/C20H22N2O2/c1-3-4-13-22-20(23)18-8-6-5-7-17(18)19(21-22)14-15-9-11-16(24-2)12-10-15/h5-12H,3-4,13-14H2,1-2H3
InChIKey
YNQLKXADMSLXBE-UHFFFAOYSA-N
Compound name
2-butyl-4-[(4-methoxyphenyl)methyl]phthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

322.16812 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.17540 178.8
[M+Na]+ 345.15734 187.9
[M-H]- 321.16084 183.7
[M+NH4]+ 340.20194 191.5
[M+K]+ 361.13128 181.9
[M+H-H2O]+ 305.16538 168.3
[M+HCOO]- 367.16632 198.5
[M+CH3COO]- 381.18197 210.9
[M+Na-2H]- 343.14279 183.7
[M]+ 322.16757 183.1
[M]- 322.16867 183.1
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.