CID 86805

Salmefamol

Structural Information

Molecular Formula
C19H25NO4
SMILES
CC(CC1=CC=C(C=C1)OC)NCC(C2=CC(=C(C=C2)O)CO)O
InChI
InChI=1S/C19H25NO4/c1-13(9-14-3-6-17(24-2)7-4-14)20-11-19(23)15-5-8-18(22)16(10-15)12-21/h3-8,10,13,19-23H,9,11-12H2,1-2H3
InChIKey
VPMWDFRZSIMDKW-UHFFFAOYSA-N
Compound name
4-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]-2-(hydroxymethyl)phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

3795
Patents

331.17834 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.18562 179.9
[M+Na]+ 354.16756 183.8
[M-H]- 330.17106 182.2
[M+NH4]+ 349.21216 191.2
[M+K]+ 370.14150 179.9
[M+H-H2O]+ 314.17560 171.9
[M+HCOO]- 376.17654 197.7
[M+CH3COO]- 390.19219 208.4
[M+Na-2H]- 352.15301 179.7
[M]+ 331.17779 180.0
[M]- 331.17889 180.0
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.