CID 102371581

Melatonin al

Structural Information

Molecular Formula

C₁₄H₁₆N₂O₃

SMILES

CC(=O)NCCC1=CN(C2=C1C=C(C=C2)OC)C=O

InChI

InChI=1S/C14H16N2O3/c1-10(18)15-6-5-11-8-16(9-17)14-4-3-12(19-2)7-13(11)14/h3-4,7-9H,5-6H2,1-2H3,(H,15,18)

InChIKey

GDXFNHBZHDYDSJ-UHFFFAOYSA-N

Compound name

N-[2-(1-formyl-5-methoxyindol-3-yl)ethyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 260.1161 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]+	261.123376	157.7
[M+Na]+	283.105318	167.2
[M-H]-	259.108824	161.7
[M+NH4]+	278.149923	176.2
[M+K]+	299.079258	164.1
[M+H-H2O]+	243.113360	150.7
[M+HCOO]-	305.114301	182.4
[M+CH3COO]-	319.129951	199.1
[M+Na-2H]-	281.090766	162.1
[M]+	260.11555142	163.5
[M]-	260.11664858	163.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.