CID 3085913

72987-35-0

Structural Information

Molecular Formula
C18H22N2O
SMILES
CC(C)(C)C1=CC=C(C=C1)C2=NNC(=O)C3=C2CCCC3
InChI
InChI=1S/C18H22N2O/c1-18(2,3)13-10-8-12(9-11-13)16-14-6-4-5-7-15(14)17(21)20-19-16/h8-11H,4-7H2,1-3H3,(H,20,21)
InChIKey
IIPBZSKJTSVFET-UHFFFAOYSA-N
Compound name
4-(4-tert-butylphenyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.17322 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.18050 168.7
[M+Na]+ 305.16244 183.4
[M+NH4]+ 300.20704 176.9
[M+K]+ 321.13638 175.6
[M-H]- 281.16594 172.2
[M+Na-2H]- 303.14789 176.3
[M]+ 282.17267 171.9
[M]- 282.17377 171.9
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.