CID 169502157

P-hydroxylacosamide

Structural Information

Molecular Formula

C₁₃H₁₈N₂O₄

SMILES

CC(=O)N[C@H](COC)C(=O)NCC1=CC=C(C=C1)O

InChI

InChI=1S/C13H18N2O4/c1-9(16)15-12(8-19-2)13(18)14-7-10-3-5-11(17)6-4-10/h3-6,12,17H,7-8H2,1-2H3,(H,14,18)(H,15,16)/t12-/m1/s1

InChIKey

UGXIBKQSSYHBSY-GFCCVEGCSA-N

Compound name

(2R)-2-acetamido-N-[(4-hydroxyphenyl)methyl]-3-methoxypropanamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 266.12665 Da
Monoisotopic Mass: -0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	267.133926	161.4
[M+Na]+	289.115868	165.4
[M-H]-	265.119374	163.2
[M+NH4]+	284.160473	176.2
[M+K]+	305.089808	164.2
[M+H-H2O]+	249.123910	154.1
[M+HCOO]-	311.124851	183.4
[M+CH3COO]-	325.140501	200.0
[M+Na-2H]-	287.101316	163.1
[M]+	266.12610142	161.9
[M]-	266.12719858	161.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.