CID 22319935

N-(2-ethoxyphenyl)-n'-(4-isododecylphenyl)oxamide

Structural Information

Molecular Formula
C28H40N2O3
SMILES
CCOC1=CC=CC=C1NC(=O)C(=O)NC2=CC=C(C=C2)CCCCCCCCCC(C)C
InChI
InChI=1S/C28H40N2O3/c1-4-33-26-17-13-12-16-25(26)30-28(32)27(31)29-24-20-18-23(19-21-24)15-11-9-7-5-6-8-10-14-22(2)3/h12-13,16-22H,4-11,14-15H2,1-3H3,(H,29,31)(H,30,32)
InChIKey
PIPJHDJQUXGVNR-UHFFFAOYSA-N
Compound name
N'-(2-ethoxyphenyl)-N-[4-(10-methylundecyl)phenyl]oxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

159
Patents

452.3039 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.31118 219.5
[M+Na]+ 475.29312 228.2
[M+NH4]+ 470.33772 223.9
[M+K]+ 491.26706 220.2
[M-H]- 451.29662 222.9
[M+Na-2H]- 473.27857 223.6
[M]+ 452.30335 221.3
[M]- 452.30445 221.3
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