CID 25134257

2-(4-hydroxybiphenyl-3-yl)-4-methyl-1h-isoindole-1,3(2h)-dione

Structural Information

Molecular Formula

C₂₁H₁₅NO₃

SMILES

CC1=C2C(=CC=C1)C(=O)N(C2=O)C3=C(C=CC(=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C21H15NO3/c1-13-6-5-9-16-19(13)21(25)22(20(16)24)17-12-15(10-11-18(17)23)14-7-3-2-4-8-14/h2-12,23H,1H3

InChIKey

ROMNEYAQUBNRLR-UHFFFAOYSA-N

Compound name

2-(2-hydroxy-5-phenylphenyl)-4-methylisoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 329.1052 Da
Monoisotopic Mass: 4.1
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]+	330.112476	177.0
[M+Na]+	352.094418	187.3
[M-H]-	328.097924	186.3
[M+NH4]+	347.139023	191.8
[M+K]+	368.068358	180.7
[M+H-H2O]+	312.102460	168.3
[M+HCOO]-	374.103401	197.4
[M+CH3COO]-	388.119051	188.8
[M+Na-2H]-	350.079866	178.2
[M]+	329.10465142	177.9
[M]-	329.10574858	177.9

Literature stripe

literature stripe

Patent stripe

patents stripe