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]+ 469.30608 223.4
[M+Na]+ 491.28802 221.3
[M-H]- 467.29152 229.8
[M+NH4]+ 486.33262 230.7
[M+K]+ 507.26196 220.7
[M+H-H2O]+ 451.29606 212.0
[M+HCOO]- 513.29700 243.0
[M+CH3COO]- 527.31265 248.3
[M+Na-2H]- 489.27347 218.6
[M]+ 468.29825 229.8
[M]- 468.29935 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.