CID 2859755

159212-34-7

Structural Information

Molecular Formula

C₁₇H₁₆N₂O

SMILES

C1=CC=C(C=C1)CCN=CC2=C(NC3=CC=CC=C32)O

InChI

InChI=1S/C17H16N2O/c20-17-15(14-8-4-5-9-16(14)19-17)12-18-11-10-13-6-2-1-3-7-13/h1-9,12,19-20H,10-11H2

InChIKey

JPBDKEYMRCCTFG-UHFFFAOYSA-N

Compound name

3-(2-phenylethyliminomethyl)-1H-indol-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 2
Patents: 264.12625 Da
Monoisotopic Mass: 3.6
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]+	265.13353	161.6
[M+Na]+	287.11547	176.1
[M+NH4]+	282.16007	170.3
[M+K]+	303.08941	168.9
[M-H]-	263.11897	166.3
[M+Na-2H]-	285.10092	170.5
[M]+	264.12570	165.0
[M]-	264.12680	165.0

Literature stripe

literature stripe

Patent stripe

patents stripe