CID 118761

35001-52-6

Structural Information

Molecular Formula
C22H28N2O3
SMILES
CCC1=CC=CC=C1NC(=O)C(=O)NC2=C(C=CC(=C2)C(C)(C)C)OCC
InChI
InChI=1S/C22H28N2O3/c1-6-15-10-8-9-11-17(15)23-20(25)21(26)24-18-14-16(22(3,4)5)12-13-19(18)27-7-2/h8-14H,6-7H2,1-5H3,(H,23,25)(H,24,26)
InChIKey
ZBNMOUGFCKAGGQ-UHFFFAOYSA-N
Compound name
N'-(5-tert-butyl-2-ethoxyphenyl)-N-(2-ethylphenyl)oxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1498
Patents

368.21 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.21728 192.5
[M+Na]+ 391.19922 203.0
[M+NH4]+ 386.24382 198.0
[M+K]+ 407.17316 197.1
[M-H]- 367.20272 195.9
[M+Na-2H]- 389.18467 198.5
[M]+ 368.20945 194.8
[M]- 368.21055 194.8
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