CID 118760

Einecs 252-313-9

Structural Information

Molecular Formula
C26H36N2O3
SMILES
CCC1=C(C=CC(=C1)C(C)(C)C)NC(=O)C(=O)NC2=C(C=CC(=C2)C(C)(C)C)OCC
InChI
InChI=1S/C26H36N2O3/c1-9-17-15-18(25(3,4)5)11-13-20(17)27-23(29)24(30)28-21-16-19(26(6,7)8)12-14-22(21)31-10-2/h11-16H,9-10H2,1-8H3,(H,27,29)(H,28,30)
InChIKey
HMYBQGXAGRYFPW-UHFFFAOYSA-N
Compound name
N'-(5-tert-butyl-2-ethoxyphenyl)-N-(4-tert-butyl-2-ethylphenyl)oxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

192
Patents

424.27258 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.279856 208.1
[M+Na]+ 447.261798 212.2
[M-H]- 423.265304 214.5
[M+NH4]+ 442.306403 218.3
[M+K]+ 463.235738 209.1
[M+H-H2O]+ 407.269840 199.8
[M+HCOO]- 469.270781 226.3
[M+CH3COO]- 483.286431 236.6
[M+Na-2H]- 445.247246 207.8
[M]+ 424.27203142 211.8
[M]- 424.27312858 211.8
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