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]+ 282.14885 167.2
[M+Na]+ 304.13079 176.5
[M-H]- 280.13429 172.9
[M+NH4]+ 299.17539 186.4
[M+K]+ 320.10473 171.5
[M+H-H2O]+ 264.13883 160.6
[M+HCOO]- 326.13977 185.7
[M+CH3COO]- 340.15542 197.9
[M+Na-2H]- 302.11624 172.0
[M]+ 281.14102 167.7
[M]- 281.14212 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.