CID 11723708

5hpp-33

Structural Information

Molecular Formula

C₂₀H₂₁NO₃

SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)N2C(=O)C3=C(C2=O)C=C(C=C3)O

InChI

InChI=1S/C20H21NO3/c1-11(2)14-6-5-7-15(12(3)4)18(14)21-19(23)16-9-8-13(22)10-17(16)20(21)24/h5-12,22H,1-4H3

InChIKey

LAKWINYVWJPHQW-UHFFFAOYSA-N

Compound name

2-[2,6-di(propan-2-yl)phenyl]-5-hydroxyisoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 26
References: 100
Patents: 323.15213 Da
Monoisotopic Mass: 4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	324.15941	176.5
[M+Na]+	346.14135	185.4
[M-H]-	322.14485	182.4
[M+NH4]+	341.18595	192.1
[M+K]+	362.11529	180.6
[M+H-H2O]+	306.14939	169.5
[M+HCOO]-	368.15033	194.0
[M+CH3COO]-	382.16598	211.6
[M+Na-2H]-	344.12680	174.0
[M]+	323.15158	178.5
[M]-	323.15268	178.5

Literature stripe

literature stripe

Patent stripe

patents stripe