CID 3060796

Bis(3-diethylaminopropyl) 2,3-diphenylsuccinate

Structural Information

Molecular Formula
C30H44N2O4
SMILES
CCN(CC)CCCOC(=O)C(C1=CC=CC=C1)C(C2=CC=CC=C2)C(=O)OCCCN(CC)CC
InChI
InChI=1S/C30H44N2O4/c1-5-31(6-2)21-15-23-35-29(33)27(25-17-11-9-12-18-25)28(26-19-13-10-14-20-26)30(34)36-24-16-22-32(7-3)8-4/h9-14,17-20,27-28H,5-8,15-16,21-24H2,1-4H3
InChIKey
CTLQKLYSSPOEPS-UHFFFAOYSA-N
Compound name
bis[3-(diethylamino)propyl] 2,3-diphenylbutanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

496.3301 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.337376 232.4
[M+Na]+ 519.319318 229.4
[M-H]- 495.322824 238.4
[M+NH4]+ 514.363923 238.5
[M+K]+ 535.293258 228.3
[M+H-H2O]+ 479.327360 220.6
[M+HCOO]- 541.328301 251.3
[M+CH3COO]- 555.343951 253.9
[M+Na-2H]- 517.304766 226.5
[M]+ 496.32955142 239.5
[M]- 496.33064858 239.5
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.