CID 1271833

4-tert-butyl-n-(1-naphthyl)benzamide

Structural Information

Molecular Formula
C21H21NO
SMILES
CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C21H21NO/c1-21(2,3)17-13-11-16(12-14-17)20(23)22-19-10-6-8-15-7-4-5-9-18(15)19/h4-14H,1-3H3,(H,22,23)
InChIKey
IWYKUZCHZFIUFS-UHFFFAOYSA-N
Compound name
4-tert-butyl-N-naphthalen-1-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.16232 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.16960 173.6
[M+Na]+ 326.15154 180.0
[M-H]- 302.15504 180.9
[M+NH4]+ 321.19614 189.2
[M+K]+ 342.12548 174.8
[M+H-H2O]+ 286.15958 165.5
[M+HCOO]- 348.16052 194.1
[M+CH3COO]- 362.17617 209.0
[M+Na-2H]- 324.13699 179.5
[M]+ 303.16177 173.3
[M]- 303.16287 173.3
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

No patent data available for this compound.