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
2
Annotation Hits

0
References

177
Patents

424.27258 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.27986 208.1
[M+Na]+ 447.26180 212.2
[M-H]- 423.26530 214.5
[M+NH4]+ 442.30640 218.3
[M+K]+ 463.23574 209.1
[M+H-H2O]+ 407.26984 199.8
[M+HCOO]- 469.27078 226.3
[M+CH3COO]- 483.28643 236.6
[M+Na-2H]- 445.24725 207.8
[M]+ 424.27203 211.8
[M]- 424.27313 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