CID 5489013

Oxyfedrine

Structural Information

Molecular Formula
C19H23NO3
SMILES
C[C@@H]([C@@H](C1=CC=CC=C1)O)NCCC(=O)C2=CC(=CC=C2)OC
InChI
InChI=1S/C19H23NO3/c1-14(19(22)15-7-4-3-5-8-15)20-12-11-18(21)16-9-6-10-17(13-16)23-2/h3-10,13-14,19-20,22H,11-12H2,1-2H3/t14-,19-/m0/s1
InChIKey
GDYUVHBMFVMBAF-LIRRHRJNSA-N
Compound name
3-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(3-methoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

167
References

3066
Patents

313.1678 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.17508 176.1
[M+Na]+ 336.15702 179.2
[M-H]- 312.16052 180.6
[M+NH4]+ 331.20162 188.9
[M+K]+ 352.13096 176.1
[M+H-H2O]+ 296.16506 167.7
[M+HCOO]- 358.16600 196.1
[M+CH3COO]- 372.18165 208.5
[M+Na-2H]- 334.14247 177.0
[M]+ 313.16725 176.4
[M]- 313.16835 176.4
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