CID 81398

6953-22-6

Structural Information

Molecular Formula

C₁₆H₁₃NO₂

SMILES

C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3C=O

InChI

InChI=1S/C16H13NO2/c18-10-13-9-17-16-7-6-14(8-15(13)16)19-11-12-4-2-1-3-5-12/h1-10,17H,11H2

InChIKey

DJGNUBADRQIDNQ-UHFFFAOYSA-N

Compound name

5-phenylmethoxy-1H-indole-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 278
Patents: 251.09464 Da
Monoisotopic Mass: 3.1
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]+	252.10192	156.2
[M+Na]+	274.08386	171.8
[M+NH4]+	269.12846	165.0
[M+K]+	290.05780	165.0
[M-H]-	250.08736	160.3
[M+Na-2H]-	272.06931	165.3
[M]+	251.09409	159.7
[M]-	251.09519	159.7

Literature stripe

literature stripe

Patent stripe

patents stripe