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
3
Annotation Hits

54
References

8987
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

literature stripe

Patent stripe

patents stripe