CID 495413

Nsc654035

Structural Information

Molecular Formula
C25H36N2O2
SMILES
CC(=O)N(CC1CN(CCC1O)CC2=CC=CC=C2)C34CC5CC(C3)CC(C5)C4
InChI
InChI=1S/C25H36N2O2/c1-18(28)27(25-12-20-9-21(13-25)11-22(10-20)14-25)17-23-16-26(8-7-24(23)29)15-19-5-3-2-4-6-19/h2-6,20-24,29H,7-17H2,1H3
InChIKey
BPUGAKKWLKYMFA-UHFFFAOYSA-N
Compound name
N-(1-adamantyl)-N-[(1-benzyl-4-hydroxypiperidin-3-yl)methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.27768 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.28496 191.9
[M+Na]+ 419.26690 187.9
[M-H]- 395.27040 189.1
[M+NH4]+ 414.31150 206.9
[M+K]+ 435.24084 183.7
[M+H-H2O]+ 379.27494 180.2
[M+HCOO]- 441.27588 191.1
[M+CH3COO]- 455.29153 194.8
[M+Na-2H]- 417.25235 195.5
[M]+ 396.27713 187.1
[M]- 396.27823 187.1
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.