CID 1726513

Butyl 2-(4-methoxyphenyl)-1,3-dioxoisoindoline-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]+ 354.133576 181.6
[M+Na]+ 376.115518 190.2
[M-H]- 352.119024 188.4
[M+NH4]+ 371.160123 196.1
[M+K]+ 392.089458 186.5
[M+H-H2O]+ 336.123560 173.4
[M+HCOO]- 398.124501 202.1
[M+CH3COO]- 412.140151 214.6
[M+Na-2H]- 374.100966 181.5
[M]+ 353.12575142 187.6
[M]- 353.12684858 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.