CID 1322785

4-tert-butyl-n-(2,6-diethylphenyl)benzamide

Structural Information

Molecular Formula
C21H27NO
SMILES
CCC1=C(C(=CC=C1)CC)NC(=O)C2=CC=C(C=C2)C(C)(C)C
InChI
InChI=1S/C21H27NO/c1-6-15-9-8-10-16(7-2)19(15)22-20(23)17-11-13-18(14-12-17)21(3,4)5/h8-14H,6-7H2,1-5H3,(H,22,23)
InChIKey
FNJQPISRRUROAR-UHFFFAOYSA-N
Compound name
4-tert-butyl-N-(2,6-diethylphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.20926 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.21654 177.6
[M+Na]+ 332.19848 183.7
[M-H]- 308.20198 184.3
[M+NH4]+ 327.24308 192.7
[M+K]+ 348.17242 179.2
[M+H-H2O]+ 292.20652 169.9
[M+HCOO]- 354.20746 198.5
[M+CH3COO]- 368.22311 212.5
[M+Na-2H]- 330.18393 179.7
[M]+ 309.20871 179.1
[M]- 309.20981 179.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.