CID 244864

2,2'-(1,3-dioxolane-2,2-diyl)bis(n-benzylacetamide)

Structural Information

Molecular Formula
C21H24N2O4
SMILES
C1COC(O1)(CC(=O)NCC2=CC=CC=C2)CC(=O)NCC3=CC=CC=C3
InChI
InChI=1S/C21H24N2O4/c24-19(22-15-17-7-3-1-4-8-17)13-21(26-11-12-27-21)14-20(25)23-16-18-9-5-2-6-10-18/h1-10H,11-16H2,(H,22,24)(H,23,25)
InChIKey
ZNWNFASSLXQMHQ-UHFFFAOYSA-N
Compound name
N-benzyl-2-[2-[2-(benzylamino)-2-oxoethyl]-1,3-dioxolan-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.1736 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.18088 189.5
[M+Na]+ 391.16282 191.4
[M-H]- 367.16632 199.1
[M+NH4]+ 386.20742 200.8
[M+K]+ 407.13676 190.3
[M+H-H2O]+ 351.17086 180.6
[M+HCOO]- 413.17180 210.1
[M+CH3COO]- 427.18745 216.5
[M+Na-2H]- 389.14827 192.9
[M]+ 368.17305 189.4
[M]- 368.17415 189.4
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.