CID 1726571

Hexyl 2-(2-methoxyphenyl)-1,3-dioxoisoindoline-5-carboxylate

Structural Information

Molecular Formula
C22H23NO5
SMILES
CCCCCCOC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC=CC=C3OC
InChI
InChI=1S/C22H23NO5/c1-3-4-5-8-13-28-22(26)15-11-12-16-17(14-15)21(25)23(20(16)24)18-9-6-7-10-19(18)27-2/h6-7,9-12,14H,3-5,8,13H2,1-2H3
InChIKey
WIMLVZGXOBORBC-UHFFFAOYSA-N
Compound name
hexyl 2-(2-methoxyphenyl)-1,3-dioxoisoindole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.15762 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.16490 190.9
[M+Na]+ 404.14684 198.5
[M-H]- 380.15034 197.2
[M+NH4]+ 399.19144 204.2
[M+K]+ 420.12078 194.3
[M+H-H2O]+ 364.15488 182.2
[M+HCOO]- 426.15582 210.7
[M+CH3COO]- 440.17147 220.5
[M+Na-2H]- 402.13229 189.7
[M]+ 381.15707 197.5
[M]- 381.15817 197.5
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.