CID 13473418

N-nicotinoyl dopamine

Structural Information

Molecular Formula

C₁₄H₁₄N₂O₃

SMILES

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

InChI

InChI=1S/C14H14N2O3/c17-12-4-3-10(8-13(12)18)5-7-16-14(19)11-2-1-6-15-9-11/h1-4,6,8-9,17-18H,5,7H2,(H,16,19)

InChIKey

UNFZEXBBGOCRBZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 36
Patents: 258.10043 Da
Monoisotopic Mass: 1.4
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]+	259.10771	157.5
[M+Na]+	281.08965	164.1
[M-H]-	257.09315	160.4
[M+NH4]+	276.13425	171.1
[M+K]+	297.06359	159.9
[M+H-H2O]+	241.09769	149.4
[M+HCOO]-	303.09863	178.5
[M+CH3COO]-	317.11428	192.6
[M+Na-2H]-	279.07510	162.6
[M]+	258.09988	156.3
[M]-	258.10098	156.3

Literature stripe

literature stripe

Patent stripe

patents stripe