CID 1726514

Propyl 1,3-dioxo-2-(4-phenoxyphenyl)-5-isoindolinecarboxylate

Structural Information

Molecular Formula
C24H19NO5
SMILES
CCCOC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4
InChI
InChI=1S/C24H19NO5/c1-2-14-29-24(28)16-8-13-20-21(15-16)23(27)25(22(20)26)17-9-11-19(12-10-17)30-18-6-4-3-5-7-18/h3-13,15H,2,14H2,1H3
InChIKey
PWGJSHFRDVKCOX-UHFFFAOYSA-N
Compound name
propyl 1,3-dioxo-2-(4-phenoxyphenyl)isoindole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.1263 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.13358 195.2
[M+Na]+ 424.11552 203.0
[M-H]- 400.11902 204.9
[M+NH4]+ 419.16012 206.9
[M+K]+ 440.08946 198.1
[M+H-H2O]+ 384.12356 185.1
[M+HCOO]- 446.12450 215.4
[M+CH3COO]- 460.14015 222.6
[M+Na-2H]- 422.10097 195.0
[M]+ 401.12575 199.6
[M]- 401.12685 199.6
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.