CID 722394

4-tert-butyl-n-(4-ethoxyphenyl)benzamide

Structural Information

Molecular Formula
C19H23NO2
SMILES
CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C(C)(C)C
InChI
InChI=1S/C19H23NO2/c1-5-22-17-12-10-16(11-13-17)20-18(21)14-6-8-15(9-7-14)19(2,3)4/h6-13H,5H2,1-4H3,(H,20,21)
InChIKey
UMCHSJHKDAWEQU-UHFFFAOYSA-N
Compound name
4-tert-butyl-N-(4-ethoxyphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

297.17288 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.180156 172.4
[M+Na]+ 320.162098 178.3
[M-H]- 296.165604 179.0
[M+NH4]+ 315.206703 187.5
[M+K]+ 336.136038 174.8
[M+H-H2O]+ 280.170140 164.6
[M+HCOO]- 342.171081 194.2
[M+CH3COO]- 356.186731 207.4
[M+Na-2H]- 318.147546 176.3
[M]+ 297.17233142 174.2
[M]- 297.17342858 174.2
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