CID 111686

3-((2-cyanoethyl)allylamino)acetanilide

Structural Information

Molecular Formula

C₁₄H₁₇N₃O

SMILES

CC(=O)NC1=CC(=CC=C1)N(CCC#N)CC=C

InChI

InChI=1S/C14H17N3O/c1-3-9-17(10-5-8-15)14-7-4-6-13(11-14)16-12(2)18/h3-4,6-7,11H,1,5,9-10H2,2H3,(H,16,18)

InChIKey

LNLGQJSEGISOOY-UHFFFAOYSA-N

Compound name

N-[3-[2-cyanoethyl(prop-2-enyl)amino]phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 243.13716 Da
Monoisotopic Mass: 1.6
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]+	244.144436	160.9
[M+Na]+	266.126378	167.9
[M-H]-	242.129884	164.6
[M+NH4]+	261.170983	176.3
[M+K]+	282.100318	165.0
[M+H-H2O]+	226.134420	147.0
[M+HCOO]-	288.135361	181.9
[M+CH3COO]-	302.151011	212.6
[M+Na-2H]-	264.111826	163.6
[M]+	243.13661142	156.6
[M]-	243.13770858	156.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe