CID 2392254

158268-77-0

Structural Information

Molecular Formula
C21H26N2O2
SMILES
CCN(CC1=CC=CC=C1)C(=O)CC(=O)N(CC)CC2=CC=CC=C2
InChI
InChI=1S/C21H26N2O2/c1-3-22(16-18-11-7-5-8-12-18)20(24)15-21(25)23(4-2)17-19-13-9-6-10-14-19/h5-14H,3-4,15-17H2,1-2H3
InChIKey
UXXQBWCUGQPVDT-UHFFFAOYSA-N
Compound name
N,N'-dibenzyl-N,N'-diethylpropanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

338.19943 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.20671 185.8
[M+Na]+ 361.18865 187.7
[M-H]- 337.19215 193.7
[M+NH4]+ 356.23325 199.0
[M+K]+ 377.16259 186.0
[M+H-H2O]+ 321.19669 175.8
[M+HCOO]- 383.19763 209.5
[M+CH3COO]- 397.21328 222.3
[M+Na-2H]- 359.17410 186.8
[M]+ 338.19888 188.3
[M]- 338.19998 188.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.