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]+ 310.216536 177.6
[M+Na]+ 332.198478 183.7
[M-H]- 308.201984 184.3
[M+NH4]+ 327.243083 192.7
[M+K]+ 348.172418 179.2
[M+H-H2O]+ 292.206520 169.9
[M+HCOO]- 354.207461 198.5
[M+CH3COO]- 368.223111 212.5
[M+Na-2H]- 330.183926 179.7
[M]+ 309.20871142 179.1
[M]- 309.20980858 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.