CID 64377

Tromantadine

Structural Information

Molecular Formula
C16H28N2O2
SMILES
CN(C)CCOCC(=O)NC12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C16H28N2O2/c1-18(2)3-4-20-11-15(19)17-16-8-12-5-13(9-16)7-14(6-12)10-16/h12-14H,3-11H2,1-2H3,(H,17,19)
InChIKey
UXQDWARBDDDTKG-UHFFFAOYSA-N
Compound name
N-(1-adamantyl)-2-[2-(dimethylamino)ethoxy]acetamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

54
References

8337
Patents

280.2151 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.22238 167.3
[M+Na]+ 303.20432 166.1
[M-H]- 279.20782 162.5
[M+NH4]+ 298.24892 189.7
[M+K]+ 319.17826 164.8
[M+H-H2O]+ 263.21236 160.5
[M+HCOO]- 325.21330 175.0
[M+CH3COO]- 339.22895 215.6
[M+Na-2H]- 301.18977 176.1
[M]+ 280.21455 169.1
[M]- 280.21565 169.1
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.