CID 3060795

Bis(2-diethylaminoethyl) 2,3-diphenylsuccinate

Structural Information

Molecular Formula
C28H40N2O4
SMILES
CCN(CC)CCOC(=O)C(C1=CC=CC=C1)C(C2=CC=CC=C2)C(=O)OCCN(CC)CC
InChI
InChI=1S/C28H40N2O4/c1-5-29(6-2)19-21-33-27(31)25(23-15-11-9-12-16-23)26(24-17-13-10-14-18-24)28(32)34-22-20-30(7-3)8-4/h9-18,25-26H,5-8,19-22H2,1-4H3
InChIKey
OUDNPUIRHMBIJC-UHFFFAOYSA-N
Compound name
bis[2-(diethylamino)ethyl] 2,3-diphenylbutanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.2988 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.306076 223.4
[M+Na]+ 491.288018 221.3
[M-H]- 467.291524 229.8
[M+NH4]+ 486.332623 230.7
[M+K]+ 507.261958 220.7
[M+H-H2O]+ 451.296060 212.0
[M+HCOO]- 513.297001 243.0
[M+CH3COO]- 527.312651 248.3
[M+Na-2H]- 489.273466 218.6
[M]+ 468.29825142 229.8
[M]- 468.29934858 229.8
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.