CID 1726513

Butyl 2-(4-methoxyphenyl)-1,3-dioxo-2,3-dihydro-1h-isoindole-5-carboxylate

Structural Information

Molecular Formula
C20H19NO5
SMILES
CCCCOC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C20H19NO5/c1-3-4-11-26-20(24)13-5-10-16-17(12-13)19(23)21(18(16)22)14-6-8-15(25-2)9-7-14/h5-10,12H,3-4,11H2,1-2H3
InChIKey
WWAXFPIPVVUXPT-UHFFFAOYSA-N
Compound name
butyl 2-(4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.1263 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.13358 181.6
[M+Na]+ 376.11552 190.2
[M-H]- 352.11902 188.4
[M+NH4]+ 371.16012 196.1
[M+K]+ 392.08946 186.5
[M+H-H2O]+ 336.12356 173.4
[M+HCOO]- 398.12450 202.1
[M+CH3COO]- 412.14015 214.6
[M+Na-2H]- 374.10097 181.5
[M]+ 353.12575 187.6
[M]- 353.12685 187.6
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.