CID 3085913

1-phthalazinol, 4-(p-tert-butylphenyl)-5,6,7,8-tetrahydro-

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 169.7
[M+Na]+ 305.16244 177.0
[M-H]- 281.16594 172.9
[M+NH4]+ 300.20704 183.3
[M+K]+ 321.13638 171.0
[M+H-H2O]+ 265.17048 160.9
[M+HCOO]- 327.17142 184.1
[M+CH3COO]- 341.18707 199.7
[M+Na-2H]- 303.14789 174.8
[M]+ 282.17267 166.5
[M]- 282.17377 166.5
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.