CID 19027

Brn 0749828

Structural Information

Molecular Formula

C₁₅H₂₀N₂O

SMILES

COC1=CC2=C(C=C1)NC=C2CC3CCNCC3

InChI

InChI=1S/C15H20N2O/c1-18-13-2-3-15-14(9-13)12(10-17-15)8-11-4-6-16-7-5-11/h2-3,9-11,16-17H,4-8H2,1H3

InChIKey

URURNXZHHMVWSK-UHFFFAOYSA-N

Compound name

5-methoxy-3-(piperidin-4-ylmethyl)-1H-indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 3
Patents: 244.15756 Da
Monoisotopic Mass: 1.8
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]+	245.16484	157.8
[M+Na]+	267.14678	170.4
[M+NH4]+	262.19138	166.2
[M+K]+	283.12072	164.6
[M-H]-	243.15028	160.6
[M+Na-2H]-	265.13223	163.9
[M]+	244.15701	160.3
[M]-	244.15811	160.3

Literature stripe

literature stripe

Patent stripe

patents stripe