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]+ 439.18636 204.2
[M+Na]+ 461.16830 208.0
[M-H]- 437.17180 209.9
[M+NH4]+ 456.21290 214.0
[M+K]+ 477.14224 205.7
[M+H-H2O]+ 421.17634 195.2
[M+HCOO]- 483.17728 221.6
[M+CH3COO]- 497.19293 233.9
[M+Na-2H]- 459.15375 200.5
[M]+ 438.17853 209.2
[M]- 438.17963 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.