CID 395810

66012-82-6

Structural Information

Molecular Formula

C₁₄H₁₈N₂O₂

SMILES

CCC(=O)NCCC1=CNC2=C1C=C(C=C2)OC

InChI

InChI=1S/C14H18N2O2/c1-3-14(17)15-7-6-10-9-16-13-5-4-11(18-2)8-12(10)13/h4-5,8-9,16H,3,6-7H2,1-2H3,(H,15,17)

InChIKey

VXGNHTKZJOTYNZ-UHFFFAOYSA-N

Compound name

N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 5
Patents: 246.13683 Da
Monoisotopic Mass: 1.3
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]+	247.14411	156.4
[M+Na]+	269.12605	164.4
[M-H]-	245.12955	158.6
[M+NH4]+	264.17065	174.7
[M+K]+	285.09999	160.4
[M+H-H2O]+	229.13409	149.4
[M+HCOO]-	291.13503	179.2
[M+CH3COO]-	305.15068	194.1
[M+Na-2H]-	267.11150	160.9
[M]+	246.13628	159.2
[M]-	246.13738	159.2

Literature stripe

literature stripe

Patent stripe

patents stripe