CID 722347

4-tert-butyl-n-cyclohexylbenzamide

Structural Information

Molecular Formula
C17H25NO
SMILES
CC(C)(C)C1=CC=C(C=C1)C(=O)NC2CCCCC2
InChI
InChI=1S/C17H25NO/c1-17(2,3)14-11-9-13(10-12-14)16(19)18-15-7-5-4-6-8-15/h9-12,15H,4-8H2,1-3H3,(H,18,19)
InChIKey
DJDZFKDSRVOBQT-UHFFFAOYSA-N
Compound name
4-tert-butyl-N-cyclohexylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

259.1936 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.200876 163.6
[M+Na]+ 282.182818 166.5
[M-H]- 258.186324 169.0
[M+NH4]+ 277.227423 179.8
[M+K]+ 298.156758 163.4
[M+H-H2O]+ 242.190860 156.4
[M+HCOO]- 304.191801 181.6
[M+CH3COO]- 318.207451 199.2
[M+Na-2H]- 280.168266 166.3
[M]+ 259.19305142 158.6
[M]- 259.19414858 158.6
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