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]+ 497.33738 232.4
[M+Na]+ 519.31932 229.4
[M-H]- 495.32282 238.4
[M+NH4]+ 514.36392 238.5
[M+K]+ 535.29326 228.3
[M+H-H2O]+ 479.32736 220.6
[M+HCOO]- 541.32830 251.3
[M+CH3COO]- 555.34395 253.9
[M+Na-2H]- 517.30477 226.5
[M]+ 496.32955 239.5
[M]- 496.33065 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.