CID 3745859

51626-50-7

Structural Information

Molecular Formula

C₁₄H₁₄N₂S

SMILES

C1=CC=C2C(=C1)C(=CN2)C(CN)C3=CC=CS3

InChI

InChI=1S/C14H14N2S/c15-8-11(14-6-3-7-17-14)12-9-16-13-5-2-1-4-10(12)13/h1-7,9,11,16H,8,15H2

InChIKey

QLJAEMUUZBSJJF-UHFFFAOYSA-N

Compound name

2-(1H-indol-3-yl)-2-thiophen-2-ylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 242.08777 Da
Monoisotopic Mass: 2.5
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]+	243.09505	152.1
[M+Na]+	265.07699	164.1
[M+NH4]+	260.12159	161.9
[M+K]+	281.05093	158.5
[M-H]-	241.08049	156.5
[M+Na-2H]-	263.06244	159.4
[M]+	242.08722	155.5
[M]-	242.08832	155.5

Literature stripe

literature stripe

Patent stripe

patents stripe