CID 46209426

Thiazovivin

Structural Information

Molecular Formula

C₁₅H₁₃N₅OS

SMILES

C1=CC=C(C=C1)CNC(=O)C2=CSC(=N2)NC3=NC=NC=C3

InChI

InChI=1S/C15H13N5OS/c21-14(17-8-11-4-2-1-3-5-11)12-9-22-15(19-12)20-13-6-7-16-10-18-13/h1-7,9-10H,8H2,(H,17,21)(H,16,18,19,20)

InChIKey

DOBKQCZBPPCLEG-UHFFFAOYSA-N

Compound name

N-benzyl-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 23
References: 2889
Patents: 311.08408 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]+	312.09136	166.9
[M+Na]+	334.07330	174.4
[M-H]-	310.07680	173.3
[M+NH4]+	329.11790	178.8
[M+K]+	350.04724	168.5
[M+H-H2O]+	294.08134	156.9
[M+HCOO]-	356.08228	185.9
[M+CH3COO]-	370.09793	177.5
[M+Na-2H]-	332.05875	171.3
[M]+	311.08353	167.6
[M]-	311.08463	167.6

Literature stripe

literature stripe

Patent stripe

patents stripe