CID 5185066

39563-81-0

Structural Information

Molecular Formula
C18H19NO2
SMILES
CC(C)(C)C1(C2=CC=CC=C2C(=O)N1C3=CC=CC=C3)O
InChI
InChI=1S/C18H19NO2/c1-17(2,3)18(21)15-12-8-7-11-14(15)16(20)19(18)13-9-5-4-6-10-13/h4-12,21H,1-3H3
InChIKey
OYKCGSHHYMLTQC-UHFFFAOYSA-N
Compound name
3-tert-butyl-3-hydroxy-2-phenylisoindol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.14157 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.148846 167.2
[M+Na]+ 304.130788 176.5
[M-H]- 280.134294 172.9
[M+NH4]+ 299.175393 186.4
[M+K]+ 320.104728 171.5
[M+H-H2O]+ 264.138830 160.6
[M+HCOO]- 326.139771 185.7
[M+CH3COO]- 340.155421 197.9
[M+Na-2H]- 302.116236 172.0
[M]+ 281.14102142 167.7
[M]- 281.14211858 167.7
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.