CID 84728

14960-63-5

Structural Information

Molecular Formula

C₁₆H₁₃NO₂

SMILES

CON1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C=O

InChI

InChI=1S/C16H13NO2/c1-19-17-15-10-6-5-9-13(15)14(11-18)16(17)12-7-3-2-4-8-12/h2-11H,1H3

InChIKey

BPVFSHVFYDLETP-UHFFFAOYSA-N

Compound name

1-methoxy-2-phenylindole-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 13
Patents: 251.09464 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]+	252.101916	154.9
[M+Na]+	274.083858	166.0
[M-H]-	250.087364	162.3
[M+NH4]+	269.128463	173.8
[M+K]+	290.057798	161.2
[M+H-H2O]+	234.091900	147.1
[M+HCOO]-	296.092841	179.9
[M+CH3COO]-	310.108491	168.8
[M+Na-2H]-	272.069306	161.0
[M]+	251.09409142	159.4
[M]-	251.09518858	159.4

Literature stripe

literature stripe

Patent stripe

patents stripe