CID 374449

Nsc652161

Structural Information

Molecular Formula
C19H32N2O
SMILES
CC(=O)N(CC1CCCN(C1)C)C23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C19H32N2O/c1-14(22)21(13-15-4-3-5-20(2)12-15)19-9-16-6-17(10-19)8-18(7-16)11-19/h15-18H,3-13H2,1-2H3
InChIKey
ARSKAYJBYLEFQF-UHFFFAOYSA-N
Compound name
N-(1-adamantyl)-N-[(1-methylpiperidin-3-yl)methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.25146 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.25874 173.3
[M+Na]+ 327.24068 170.6
[M-H]- 303.24418 169.3
[M+NH4]+ 322.28528 193.2
[M+K]+ 343.21462 167.7
[M+H-H2O]+ 287.24872 163.6
[M+HCOO]- 349.24966 174.6
[M+CH3COO]- 363.26531 178.3
[M+Na-2H]- 325.22613 178.1
[M]+ 304.25091 169.0
[M]- 304.25201 169.0
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.