CID 22005903

N-benzyl epinephrine

Structural Information

Molecular Formula
C16H19NO3
SMILES
CN(CC1=CC=CC=C1)CC(C2=CC(=C(C=C2)O)O)O
InChI
InChI=1S/C16H19NO3/c1-17(10-12-5-3-2-4-6-12)11-16(20)13-7-8-14(18)15(19)9-13/h2-9,16,18-20H,10-11H2,1H3
InChIKey
YENHZTNWVCNPRW-UHFFFAOYSA-N
Compound name
4-[2-[benzyl(methyl)amino]-1-hydroxyethyl]benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

273.1365 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.14378 164.4
[M+Na]+ 296.12572 176.2
[M+NH4]+ 291.17032 171.5
[M+K]+ 312.09966 170.5
[M-H]- 272.12922 167.8
[M+Na-2H]- 294.11117 171.5
[M]+ 273.13595 166.9
[M]- 273.13705 166.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe