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]+ 304.169596 173.6
[M+Na]+ 326.151538 180.0
[M-H]- 302.155044 180.9
[M+NH4]+ 321.196143 189.2
[M+K]+ 342.125478 174.8
[M+H-H2O]+ 286.159580 165.5
[M+HCOO]- 348.160521 194.1
[M+CH3COO]- 362.176171 209.0
[M+Na-2H]- 324.136986 179.5
[M]+ 303.16177142 173.3
[M]- 303.16286858 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.