CID 3043417

N-nicotinoyl tyramine

Structural Information

Molecular Formula

C₁₄H₁₄N₂O₂

SMILES

C1=CC(=CN=C1)C(=O)NCCC2=CC=C(C=C2)O

InChI

InChI=1S/C14H14N2O2/c17-13-5-3-11(4-6-13)7-9-16-14(18)12-2-1-8-15-10-12/h1-6,8,10,17H,7,9H2,(H,16,18)

InChIKey

VSEZXJMDHJEHMN-UHFFFAOYSA-N

Compound name

N-[2-(4-hydroxyphenyl)ethyl]pyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 19
Patents: 242.10553 Da
Monoisotopic Mass: 1.5
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]+	243.11281	154.2
[M+Na]+	265.09475	160.4
[M-H]-	241.09825	158.1
[M+NH4]+	260.13935	168.9
[M+K]+	281.06869	156.3
[M+H-H2O]+	225.10279	145.8
[M+HCOO]-	287.10373	176.4
[M+CH3COO]-	301.11938	191.6
[M+Na-2H]-	263.08020	160.4
[M]+	242.10498	153.0
[M]-	242.10608	153.0

Literature stripe

literature stripe

Patent stripe

patents stripe