CID 3437847

39563-83-2

Structural Information

Molecular Formula
C19H21NO2
SMILES
CC(C)(C)C1(C2=C(C=CC(=C2)C3=CC=CC=C3)C(=O)N1C)O
InChI
InChI=1S/C19H21NO2/c1-18(2,3)19(22)16-12-14(13-8-6-5-7-9-13)10-11-15(16)17(21)20(19)4/h5-12,22H,1-4H3
InChIKey
WPUZSKGYTNSLLZ-UHFFFAOYSA-N
Compound name
3-tert-butyl-3-hydroxy-2-methyl-5-phenylisoindol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.15723 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.164506 171.1
[M+Na]+ 318.146448 180.8
[M-H]- 294.149954 177.0
[M+NH4]+ 313.191053 190.0
[M+K]+ 334.120388 175.7
[M+H-H2O]+ 278.154490 164.7
[M+HCOO]- 340.155431 189.2
[M+CH3COO]- 354.171081 202.1
[M+Na-2H]- 316.131896 174.8
[M]+ 295.15668142 172.3
[M]- 295.15777858 172.3
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.