CID 2832097

1h-isoindol-1-one, 2,3-dihydro-3,3-bis(4-hydroxyphenyl)-2-phenyl-

Structural Information

Molecular Formula
C26H19NO3
SMILES
C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C2(C4=CC=C(C=C4)O)C5=CC=C(C=C5)O
InChI
InChI=1S/C26H19NO3/c28-21-14-10-18(11-15-21)26(19-12-16-22(29)17-13-19)24-9-5-4-8-23(24)25(30)27(26)20-6-2-1-3-7-20/h1-17,28-29H
InChIKey
YBLBHSSRHHJKEK-UHFFFAOYSA-N
Compound name
3,3-bis(4-hydroxyphenyl)-2-phenylisoindol-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1852
Patents

393.1365 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.14378 196.2
[M+Na]+ 416.12572 204.9
[M-H]- 392.12922 206.8
[M+NH4]+ 411.17032 208.6
[M+K]+ 432.09966 196.9
[M+H-H2O]+ 376.13376 185.5
[M+HCOO]- 438.13470 214.2
[M+CH3COO]- 452.15035 205.7
[M+Na-2H]- 414.11117 198.0
[M]+ 393.13595 194.7
[M]- 393.13705 194.7
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

patents stripe