CID 2878695

N-(2-methoxyphenyl)-6-methyl-2-oxo-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide

Structural Information

Molecular Formula

C₁₇H₁₇N₃O₃S

SMILES

CC1=C(C(NC(=O)N1)C2=CC=CS2)C(=O)NC3=CC=CC=C3OC

InChI

InChI=1S/C17H17N3O3S/c1-10-14(15(20-17(22)18-10)13-8-5-9-24-13)16(21)19-11-6-3-4-7-12(11)23-2/h3-9,15H,1-2H3,(H,19,21)(H2,18,20,22)

InChIKey

AENRSXKKRGFHAP-UHFFFAOYSA-N

Compound name

N-(2-methoxyphenyl)-6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 0
Patents: 343.09906 Da
Monoisotopic Mass: 1.7
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]+	344.106336	178.6
[M+Na]+	366.088278	185.3
[M-H]-	342.091784	183.6
[M+NH4]+	361.132883	189.8
[M+K]+	382.062218	178.9
[M+H-H2O]+	326.096320	170.4
[M+HCOO]-	388.097261	191.8
[M+CH3COO]-	402.112911	206.4
[M+Na-2H]-	364.073726	176.6
[M]+	343.09851142	177.1
[M]-	343.09960858	177.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.