CID 71594601

1-[(2,8-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-3-(p-tolyl)thiourea

Structural Information

Molecular Formula

C₁₈H₁₉N₅OS

SMILES

CC1=CC=C(C=C1)NC(=S)NNC(=O)C2=C(N=C3N2C=CC=C3C)C

InChI

InChI=1S/C18H19N5OS/c1-11-6-8-14(9-7-11)20-18(25)22-21-17(24)15-13(3)19-16-12(2)5-4-10-23(15)16/h4-10H,1-3H3,(H,21,24)(H2,20,22,25)

InChIKey

USLIRYIICWOYGU-UHFFFAOYSA-N

Compound name

1-[(2,8-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-3-(4-methylphenyl)thiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 353.13104 Da
Monoisotopic Mass: 4.0
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]+	354.138316	183.0
[M+Na]+	376.120258	191.8
[M-H]-	352.123764	189.3
[M+NH4]+	371.164863	196.5
[M+K]+	392.094198	185.6
[M+H-H2O]+	336.128300	174.5
[M+HCOO]-	398.129241	202.0
[M+CH3COO]-	412.144891	193.4
[M+Na-2H]-	374.105706	185.1
[M]+	353.13049142	186.2
[M]-	353.13158858	186.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.