CID 3125336

14040-79-0

Structural Information

Molecular Formula
C18H20N2O2
SMILES
C1=CC=C(C=C1)CCNC(=O)C(=O)NCCC2=CC=CC=C2
InChI
InChI=1S/C18H20N2O2/c21-17(19-13-11-15-7-3-1-4-8-15)18(22)20-14-12-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,19,21)(H,20,22)
InChIKey
QZXQKYMXZRGKLB-UHFFFAOYSA-N
Compound name
N,N'-bis(2-phenylethyl)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

101
Patents

296.15247 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.15975 171.2
[M+Na]+ 319.14169 174.4
[M-H]- 295.14519 176.9
[M+NH4]+ 314.18629 185.1
[M+K]+ 335.11563 170.4
[M+H-H2O]+ 279.14973 162.3
[M+HCOO]- 341.15067 195.1
[M+CH3COO]- 355.16632 206.1
[M+Na-2H]- 317.12714 175.5
[M]+ 296.15192 170.1
[M]- 296.15302 170.1
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

patents stripe