CID 11076248

1464-11-5

Structural Information

Molecular Formula

C₁₇H₁₄N₂O

SMILES

C1=CC=C(C=C1)COC2=CC=CC3=C2C(=CN3)CC#N

InChI

InChI=1S/C17H14N2O/c18-10-9-14-11-19-15-7-4-8-16(17(14)15)20-12-13-5-2-1-3-6-13/h1-8,11,19H,9,12H2

InChIKey

OCROQGOQZBRSBQ-UHFFFAOYSA-N

Compound name

2-(4-phenylmethoxy-1H-indol-3-yl)acetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 12
Patents: 262.11063 Da
Monoisotopic Mass: 3.2
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]+	263.11791	164.0
[M+Na]+	285.09985	178.5
[M+NH4]+	280.14445	169.3
[M+K]+	301.07379	168.0
[M-H]-	261.10335	160.6
[M+Na-2H]-	283.08530	169.7
[M]+	262.11008	164.4
[M]-	262.11118	164.4

Literature stripe

literature stripe

Patent stripe

patents stripe