CID 2384529

N,n,n',n'-tetrabenzylpropanediamide

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]+ 463.238016 217.3
[M+Na]+ 485.219958 216.8
[M-H]- 461.223464 229.7
[M+NH4]+ 480.264563 223.5
[M+K]+ 501.193898 212.0
[M+H-H2O]+ 445.228000 203.9
[M+HCOO]- 507.228941 239.4
[M+CH3COO]- 521.244591 243.2
[M+Na-2H]- 483.205406 218.1
[M]+ 462.23019142 217.1
[M]- 462.23128858 217.1
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