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
2
Annotation Hits

0
References

1563
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 192.1
[M+Na]+ 391.19922 196.6
[M-H]- 367.20272 198.5
[M+NH4]+ 386.24382 204.1
[M+K]+ 407.17316 193.4
[M+H-H2O]+ 351.20726 183.5
[M+HCOO]- 413.20820 213.2
[M+CH3COO]- 427.22385 223.6
[M+Na-2H]- 389.18467 193.1
[M]+ 368.20945 194.5
[M]- 368.21055 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