CID 15959125

Chembl207763

Structural Information

Molecular Formula
C20H22N2O2
SMILES
CC(C)(C)N1C(=O)C2=CC=CC=C2C(=N1)CC3=CC=C(C=C3)OC
InChI
InChI=1S/C20H22N2O2/c1-20(2,3)22-19(23)17-8-6-5-7-16(17)18(21-22)13-14-9-11-15(24-4)12-10-14/h5-12H,13H2,1-4H3
InChIKey
XKVIMGFUUQQVFA-UHFFFAOYSA-N
Compound name
2-tert-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

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.17540 180.1
[M+Na]+ 345.15734 189.7
[M-H]- 321.16084 185.5
[M+NH4]+ 340.20194 193.1
[M+K]+ 361.13128 184.4
[M+H-H2O]+ 305.16538 170.4
[M+HCOO]- 367.16632 198.3
[M+CH3COO]- 381.18197 210.7
[M+Na-2H]- 343.14279 185.9
[M]+ 322.16757 183.9
[M]- 322.16867 183.9
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.