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

162
Patents

452.3039 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.311176 219.6
[M+Na]+ 475.293118 219.6
[M-H]- 451.296624 224.0
[M+NH4]+ 470.337723 227.3
[M+K]+ 491.267058 215.0
[M+H-H2O]+ 435.301160 208.9
[M+HCOO]- 497.302101 239.1
[M+CH3COO]- 511.317751 241.0
[M+Na-2H]- 473.278566 215.9
[M]+ 452.30335142 223.5
[M]- 452.30444858 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