CID 3003560

1-(2-methylimidazo[1,2-a]pyridin-3-yl)-3-phenyl-thiourea

Structural Information

Molecular Formula

C₁₅H₁₄N₄S

SMILES

CC1=C(N2C=CC=CC2=N1)NC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C15H14N4S/c1-11-14(19-10-6-5-9-13(19)16-11)18-15(20)17-12-7-3-2-4-8-12/h2-10H,1H3,(H2,17,18,20)

InChIKey

BWZIJFSPHADGQJ-UHFFFAOYSA-N

Compound name

1-(2-methylimidazo[1,2-a]pyridin-3-yl)-3-phenylthiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 282.0939 Da
Monoisotopic Mass: 3.7
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]+	283.101176	161.7
[M+Na]+	305.083118	171.4
[M-H]-	281.086624	167.8
[M+NH4]+	300.127723	178.2
[M+K]+	321.057058	165.2
[M+H-H2O]+	265.091160	153.6
[M+HCOO]-	327.092101	181.6
[M+CH3COO]-	341.107751	173.8
[M+Na-2H]-	303.068566	166.8
[M]+	282.09335142	163.8
[M]-	282.09444858	163.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.