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 160.3
[M+Na]+ 280.13079 164.9
[M-H]- 256.13429 165.2
[M+NH4]+ 275.17539 175.7
[M+K]+ 296.10473 161.8
[M+H-H2O]+ 240.13883 152.5
[M+HCOO]- 302.13977 181.9
[M+CH3COO]- 316.15542 197.3
[M+Na-2H]- 278.11624 164.0
[M]+ 257.14102 159.4
[M]- 257.14212 159.4
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