CID 3361967

20012-61-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
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 176.8
[M+Na]+ 352.09442 185.7
[M-H]- 328.09792 186.5
[M+NH4]+ 347.13902 191.6
[M+K]+ 368.06836 179.8
[M+H-H2O]+ 312.10246 167.2
[M+HCOO]- 374.10340 198.7
[M+CH3COO]- 388.11905 188.4
[M+Na-2H]- 350.07987 179.6
[M]+ 329.10465 178.4
[M]- 329.10575 178.4
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

No patent data available for this compound.