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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.11248 177.0
[M+Na]+ 352.09442 187.3
[M-H]- 328.09792 186.3
[M+NH4]+ 347.13902 191.8
[M+K]+ 368.06836 180.7
[M+H-H2O]+ 312.10246 168.3
[M+HCOO]- 374.10340 197.4
[M+CH3COO]- 388.11905 188.8
[M+Na-2H]- 350.07987 178.2
[M]+ 329.10465 177.9
[M]- 329.10575 177.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe