CID 375083

Nsc654037

Structural Information

Molecular Formula
C19H32N2O
SMILES
CC(=O)N(CC1CCCN(C1)C)C2C3CC4CC(C3)CC2C4
InChI
InChI=1S/C19H32N2O/c1-13(22)21(12-14-4-3-5-20(2)11-14)19-17-7-15-6-16(9-17)10-18(19)8-15/h14-19H,3-12H2,1-2H3
InChIKey
RXGDYBRNOYFRAP-UHFFFAOYSA-N
Compound name
N-(2-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

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.25874 172.7
[M+Na]+ 327.24068 169.7
[M-H]- 303.24418 168.8
[M+NH4]+ 322.28528 191.0
[M+K]+ 343.21462 167.0
[M+H-H2O]+ 287.24872 163.8
[M+HCOO]- 349.24966 174.1
[M+CH3COO]- 363.26531 177.7
[M+Na-2H]- 325.22613 176.3
[M]+ 304.25091 168.6
[M]- 304.25201 168.6
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.