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]+ 283.180496 169.7
[M+Na]+ 305.162438 177.0
[M-H]- 281.165944 172.9
[M+NH4]+ 300.207043 183.3
[M+K]+ 321.136378 171.0
[M+H-H2O]+ 265.170480 160.9
[M+HCOO]- 327.171421 184.1
[M+CH3COO]- 341.187071 199.7
[M+Na-2H]- 303.147886 174.8
[M]+ 282.17267142 166.5
[M]- 282.17376858 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.