CID 2384529

N,n,n',n'-tetrabenzyl-malonamide

Structural Information

Molecular Formula
C31H30N2O2
SMILES
C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)CC(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4
InChI
InChI=1S/C31H30N2O2/c34-30(32(22-26-13-5-1-6-14-26)23-27-15-7-2-8-16-27)21-31(35)33(24-28-17-9-3-10-18-28)25-29-19-11-4-12-20-29/h1-20H,21-25H2
InChIKey
HFKGPCMRODOLRM-UHFFFAOYSA-N
Compound name
N,N,N',N'-tetrabenzylpropanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

462.23074 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.23802 218.2
[M+Na]+ 485.21996 232.4
[M+NH4]+ 480.26456 225.6
[M+K]+ 501.19390 222.1
[M-H]- 461.22346 228.3
[M+Na-2H]- 483.20541 231.3
[M]+ 462.23019 223.2
[M]- 462.23129 223.2
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

patents stripe