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]+ 260.20088 163.6
[M+Na]+ 282.18282 166.5
[M-H]- 258.18632 169.0
[M+NH4]+ 277.22742 179.8
[M+K]+ 298.15676 163.4
[M+H-H2O]+ 242.19086 156.4
[M+HCOO]- 304.19180 181.6
[M+CH3COO]- 318.20745 199.2
[M+Na-2H]- 280.16827 166.3
[M]+ 259.19305 158.6
[M]- 259.19415 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