CID 379295

Nsc663853

Structural Information

Molecular Formula
C28H46N2O
SMILES
CC1CCN(CC(C1)(C)C)CCCCCNC(=O)C(C2CCCCC2)C3=CC=CC=C3
InChI
InChI=1S/C28H46N2O/c1-23-17-20-30(22-28(2,3)21-23)19-12-6-11-18-29-27(31)26(24-13-7-4-8-14-24)25-15-9-5-10-16-25/h4,7-8,13-14,23,25-26H,5-6,9-12,15-22H2,1-3H3,(H,29,31)
InChIKey
GBIKSMQDJWFGSU-UHFFFAOYSA-N
Compound name
2-cyclohexyl-2-phenyl-N-[5-(3,3,5-trimethylazepan-1-yl)pentyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.36102 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.36830 210.5
[M+Na]+ 449.35024 207.0
[M-H]- 425.35374 216.1
[M+NH4]+ 444.39484 218.9
[M+K]+ 465.32418 206.1
[M+H-H2O]+ 409.35828 200.1
[M+HCOO]- 471.35922 220.6
[M+CH3COO]- 485.37487 231.9
[M+Na-2H]- 447.33569 205.2
[M]+ 426.36047 200.6
[M]- 426.36157 200.6
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

No patent data available for this compound.