CID 3060794

Bis(3-(dibutylamino)propyl) 2,3-diphenylsuccinate

Structural Information

Molecular Formula
C38H60N2O4
SMILES
CCCCN(CCCC)CCCOC(=O)C(C1=CC=CC=C1)C(C2=CC=CC=C2)C(=O)OCCCN(CCCC)CCCC
InChI
InChI=1S/C38H60N2O4/c1-5-9-25-39(26-10-6-2)29-19-31-43-37(41)35(33-21-15-13-16-22-33)36(34-23-17-14-18-24-34)38(42)44-32-20-30-40(27-11-7-3)28-12-8-4/h13-18,21-24,35-36H,5-12,19-20,25-32H2,1-4H3
InChIKey
RYPDYILPNHQBAP-UHFFFAOYSA-N
Compound name
bis[3-(dibutylamino)propyl] 2,3-diphenylbutanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

608.4553 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 609.46258 267.3
[M+Na]+ 631.44452 260.8
[M-H]- 607.44802 271.5
[M+NH4]+ 626.48912 268.6
[M+K]+ 647.41846 258.0
[M+H-H2O]+ 591.45256 254.0
[M+HCOO]- 653.45350 283.3
[M+CH3COO]- 667.46915 276.1
[M+Na-2H]- 629.42997 257.4
[M]+ 608.45475 277.0
[M]- 608.45585 277.0
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.