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]+ 463.23802 217.3
[M+Na]+ 485.21996 216.8
[M-H]- 461.22346 229.7
[M+NH4]+ 480.26456 223.5
[M+K]+ 501.19390 212.0
[M+H-H2O]+ 445.22800 203.9
[M+HCOO]- 507.22894 239.4
[M+CH3COO]- 521.24459 243.2
[M+Na-2H]- 483.20541 218.1
[M]+ 462.23019 217.1
[M]- 462.23129 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