CID 208903

Droxypropine

Structural Information

Molecular Formula
C18H27NO3
SMILES
CCC(=O)C1(CCN(CC1)CCOCCO)C2=CC=CC=C2
InChI
InChI=1S/C18H27NO3/c1-2-17(21)18(16-6-4-3-5-7-16)8-10-19(11-9-18)12-14-22-15-13-20/h3-7,20H,2,8-15H2,1H3
InChIKey
FVYYUBRKVVOOAV-UHFFFAOYSA-N
Compound name
1-[1-[2-(2-hydroxyethoxy)ethyl]-4-phenylpiperidin-4-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

260
Patents

305.1991 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.206376 175.6
[M+Na]+ 328.188318 178.6
[M-H]- 304.191824 177.9
[M+NH4]+ 323.232923 189.8
[M+K]+ 344.162258 175.3
[M+H-H2O]+ 288.196360 167.2
[M+HCOO]- 350.197301 191.3
[M+CH3COO]- 364.212951 201.9
[M+Na-2H]- 326.173766 177.3
[M]+ 305.19855142 174.1
[M]- 305.19964858 174.1
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