CID 17051

6-benzyloxy-5-methoxyindole

Structural Information

Molecular Formula

C₁₆H₁₅NO₂

SMILES

COC1=C(C=C2C(=C1)C=CN2)OCC3=CC=CC=C3

InChI

InChI=1S/C16H15NO2/c1-18-15-9-13-7-8-17-14(13)10-16(15)19-11-12-5-3-2-4-6-12/h2-10,17H,11H2,1H3

InChIKey

YPRAMYRRNNYGSE-UHFFFAOYSA-N

Compound name

5-methoxy-6-phenylmethoxy-1H-indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 253.11028 Da
Monoisotopic Mass: 3.5
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]+	254.117556	155.9
[M+Na]+	276.099498	165.3
[M-H]-	252.103004	161.5
[M+NH4]+	271.144103	173.8
[M+K]+	292.073438	160.3
[M+H-H2O]+	236.107540	148.2
[M+HCOO]-	298.108481	179.3
[M+CH3COO]-	312.124131	168.8
[M+Na-2H]-	274.084946	162.4
[M]+	253.10973142	158.9
[M]-	253.11082858	158.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe