CID 1726517

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

Structural Information

Molecular Formula
C26H23NO5
SMILES
CCCCCOC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4
InChI
InChI=1S/C26H23NO5/c1-2-3-7-16-31-26(30)18-10-15-22-23(17-18)25(29)27(24(22)28)19-11-13-21(14-12-19)32-20-8-5-4-6-9-20/h4-6,8-15,17H,2-3,7,16H2,1H3
InChIKey
LPIMVSCXPSIWAR-UHFFFAOYSA-N
Compound name
pentyl 1,3-dioxo-2-(4-phenoxyphenyl)isoindole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.15762 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.164896 204.3
[M+Na]+ 452.146838 211.1
[M-H]- 428.150344 213.6
[M+NH4]+ 447.191443 214.8
[M+K]+ 468.120778 205.9
[M+H-H2O]+ 412.154880 193.8
[M+HCOO]- 474.155821 223.8
[M+CH3COO]- 488.171471 228.4
[M+Na-2H]- 450.132286 203.0
[M]+ 429.15707142 209.3
[M]- 429.15816858 209.3
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.