CID 246851

Alpha-cyano-3-indoleacrylamide

Structural Information

Molecular Formula

C₁₂H₉N₃O

SMILES

C1=CC=C2C(=C1)C(=CN2)C=C(C#N)C(=O)N

InChI

InChI=1S/C12H9N3O/c13-6-8(12(14)16)5-9-7-15-11-4-2-1-3-10(9)11/h1-5,7,15H,(H2,14,16)

InChIKey

NLJUQIIPXVMEAA-UHFFFAOYSA-N

Compound name

2-cyano-3-(1H-indol-3-yl)prop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 10
References: 16
Patents: 211.07455 Da
Monoisotopic Mass: 1.5
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]+	212.08183	154.3
[M+Na]+	234.06377	164.4
[M-H]-	210.06727	155.1
[M+NH4]+	229.10837	170.9
[M+K]+	250.03771	158.1
[M+H-H2O]+	194.07181	140.7
[M+HCOO]-	256.07275	172.2
[M+CH3COO]-	270.08840	197.3
[M+Na-2H]-	232.04922	157.1
[M]+	211.07400	146.9
[M]-	211.07510	146.9

Literature stripe

literature stripe

Patent stripe

patents stripe