CID 4555128

N,n,n'-tribenzylbutanediamide

Structural Information

Molecular Formula
C25H26N2O2
SMILES
C1=CC=C(C=C1)CNC(=O)CCC(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C25H26N2O2/c28-24(26-18-21-10-4-1-5-11-21)16-17-25(29)27(19-22-12-6-2-7-13-22)20-23-14-8-3-9-15-23/h1-15H,16-20H2,(H,26,28)
InChIKey
RJFZGLVEVWAWIZ-UHFFFAOYSA-N
Compound name
N,N',N'-tribenzylbutanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.19943 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.20671 198.0
[M+Na]+ 409.18865 210.7
[M+NH4]+ 404.23325 205.2
[M+K]+ 425.16259 201.6
[M-H]- 385.19215 205.4
[M+Na-2H]- 407.17410 208.6
[M]+ 386.19888 201.9
[M]- 386.19998 201.9
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.