CID 118761

Einecs 252-314-4

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
3
Annotation Hits

0
References

1157
Patents

368.21 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.217276 192.1
[M+Na]+ 391.199218 196.6
[M-H]- 367.202724 198.5
[M+NH4]+ 386.243823 204.1
[M+K]+ 407.173158 193.4
[M+H-H2O]+ 351.207260 183.5
[M+HCOO]- 413.208201 213.2
[M+CH3COO]- 427.223851 223.6
[M+Na-2H]- 389.184666 193.1
[M]+ 368.20945142 194.5
[M]- 368.21054858 194.5
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