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]+ 387.206706 196.5
[M+Na]+ 409.188648 197.6
[M-H]- 385.192154 205.6
[M+NH4]+ 404.233253 206.3
[M+K]+ 425.162588 193.0
[M+H-H2O]+ 369.196690 185.2
[M+HCOO]- 431.197631 219.5
[M+CH3COO]- 445.213281 226.7
[M+Na-2H]- 407.174096 198.8
[M]+ 386.19888142 196.2
[M]- 386.19997858 196.2
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.