CID 59940052

Benzylphenylephrine

Structural Information

Molecular Formula
C16H19NO2
SMILES
CN(CC1=CC=CC=C1)C[C@@H](C2=CC(=CC=C2)O)O
InChI
InChI=1S/C16H19NO2/c1-17(11-13-6-3-2-4-7-13)12-16(19)14-8-5-9-15(18)10-14/h2-10,16,18-19H,11-12H2,1H3/t16-/m0/s1
InChIKey
JBBZPOHBHNEKIM-INIZCTEOSA-N
Compound name
3-[(1R)-2-[benzyl(methyl)amino]-1-hydroxyethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

257.14157 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.14885 161.2
[M+Na]+ 280.13079 173.6
[M+NH4]+ 275.17539 169.2
[M+K]+ 296.10473 166.9
[M-H]- 256.13429 165.6
[M+Na-2H]- 278.11624 169.6
[M]+ 257.14102 164.1
[M]- 257.14212 164.1
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