CID 260799

7-benzyloxyindole-3-carbaldehyde

Structural Information

Molecular Formula

C₁₆H₁₃NO₂

SMILES

C1=CC=C(C=C1)COC2=CC=CC3=C2NC=C3C=O

InChI

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

InChIKey

RNARWQXZOKWYHY-UHFFFAOYSA-N

Compound name

7-phenylmethoxy-1H-indole-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 53
Patents: 251.09464 Da
Monoisotopic Mass: 3.0
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]+	252.101916	155.0
[M+Na]+	274.083858	164.7
[M-H]-	250.087364	160.7
[M+NH4]+	269.128463	172.9
[M+K]+	290.057798	159.1
[M+H-H2O]+	234.091900	147.3
[M+HCOO]-	296.092841	178.6
[M+CH3COO]-	310.108491	167.9
[M+Na-2H]-	272.069306	161.5
[M]+	251.09409142	157.3
[M]-	251.09518858	157.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe