CID 771534

20012-62-8

Structural Information

Molecular Formula
C21H15NO3
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C21H15NO3/c23-20-18-8-4-5-9-19(18)21(24)22(20)16-10-12-17(13-11-16)25-14-15-6-2-1-3-7-15/h1-13H,14H2
InChIKey
JUOUMGCILMRHIX-UHFFFAOYSA-N
Compound name
2-(4-phenylmethoxyphenyl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.1052 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.11248 177.6
[M+Na]+ 352.09442 194.0
[M+NH4]+ 347.13902 186.1
[M+K]+ 368.06836 186.6
[M-H]- 328.09792 183.9
[M+Na-2H]- 350.07987 187.2
[M]+ 329.10465 181.9
[M]- 329.10575 181.9
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.