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]+ 296.16451 171.1
[M+Na]+ 318.14645 180.8
[M-H]- 294.14995 177.0
[M+NH4]+ 313.19105 190.0
[M+K]+ 334.12039 175.7
[M+H-H2O]+ 278.15449 164.7
[M+HCOO]- 340.15543 189.2
[M+CH3COO]- 354.17108 202.1
[M+Na-2H]- 316.13190 174.8
[M]+ 295.15668 172.3
[M]- 295.15778 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.