CID 2789728

2-ethoxyethyl 3-{[2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-3-methylbutanoyl]amino}benzoate

Structural Information

Molecular Formula
C24H26N2O6
SMILES
CCOCCOC(=O)C1=CC(=CC=C1)NC(=O)C(C(C)C)N2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C24H26N2O6/c1-4-31-12-13-32-24(30)16-8-7-9-17(14-16)25-21(27)20(15(2)3)26-22(28)18-10-5-6-11-19(18)23(26)29/h5-11,14-15,20H,4,12-13H2,1-3H3,(H,25,27)
InChIKey
KCEOXZBDNIJELP-UHFFFAOYSA-N
Compound name
2-ethoxyethyl 3-[[2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.17908 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.186356 204.2
[M+Na]+ 461.168298 208.0
[M-H]- 437.171804 209.9
[M+NH4]+ 456.212903 214.0
[M+K]+ 477.142238 205.7
[M+H-H2O]+ 421.176340 195.2
[M+HCOO]- 483.177281 221.6
[M+CH3COO]- 497.192931 233.9
[M+Na-2H]- 459.153746 200.5
[M]+ 438.17853142 209.2
[M]- 438.17962858 209.2
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.