CID 3069794

Acetamide, 2-(p-(1-pyrrolyl)phenyl)-n-(2-thiazolyl)-

Structural Information

Molecular Formula

C₁₅H₁₃N₃OS

SMILES

C1=CN(C=C1)C2=CC=C(C=C2)CC(=O)NC3=NC=CS3

InChI

InChI=1S/C15H13N3OS/c19-14(17-15-16-7-10-20-15)11-12-3-5-13(6-4-12)18-8-1-2-9-18/h1-10H,11H2,(H,16,17,19)

InChIKey

SFRCPRDNTANORD-UHFFFAOYSA-N

Compound name

2-(4-pyrrol-1-ylphenyl)-N-(1,3-thiazol-2-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 283.07794 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]+	284.085216	163.0
[M+Na]+	306.067158	172.5
[M-H]-	282.070664	171.8
[M+NH4]+	301.111763	180.0
[M+K]+	322.041098	167.7
[M+H-H2O]+	266.075200	154.8
[M+HCOO]-	328.076141	184.6
[M+CH3COO]-	342.091791	175.7
[M+Na-2H]-	304.052606	164.3
[M]+	283.07739142	166.4
[M]-	283.07848858	166.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.