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
3
Annotation Hits

0
References

165
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 219.6
[M+Na]+ 475.29312 219.6
[M-H]- 451.29662 224.0
[M+NH4]+ 470.33772 227.3
[M+K]+ 491.26706 215.0
[M+H-H2O]+ 435.30116 208.9
[M+HCOO]- 497.30210 239.1
[M+CH3COO]- 511.31775 241.0
[M+Na-2H]- 473.27857 215.9
[M]+ 452.30335 223.5
[M]- 452.30445 223.5
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