CID 55807

Benzyl alcohol, 3-hydroxy-alpha-((((4-methoxyphenyl)methyl)amino)methyl)-, hydrochloride

Structural Information

Molecular Formula
C16H19NO4
SMILES
COC1=C(C=C(C=C1)CNCC(C2=CC(=CC=C2)O)O)O
InChI
InChI=1S/C16H19NO4/c1-21-16-6-5-11(7-14(16)19)9-17-10-15(20)12-3-2-4-13(18)8-12/h2-8,15,17-20H,9-10H2,1H3
InChIKey
USIYBOHQTUGYSO-UHFFFAOYSA-N
Compound name
5-[[[2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]methyl]-2-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.1314 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.138676 166.1
[M+Na]+ 312.120618 171.6
[M-H]- 288.124124 168.9
[M+NH4]+ 307.165223 179.2
[M+K]+ 328.094558 167.8
[M+H-H2O]+ 272.128660 158.5
[M+HCOO]- 334.129601 186.0
[M+CH3COO]- 348.145251 198.5
[M+Na-2H]- 310.106066 168.7
[M]+ 289.13085142 165.8
[M]- 289.13194858 165.8
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

No patent data available for this compound.