CID 337150

66646-01-3

Structural Information

Molecular Formula

C₁₂H₈N₂OS₂

SMILES

C1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)SC=C3

InChI

InChI=1S/C12H8N2OS2/c15-10(8-4-2-1-3-5-8)14-12-13-9-6-7-16-11(9)17-12/h1-7H,(H,13,14,15)

InChIKey

RAAVLSNJUFAXCZ-UHFFFAOYSA-N

Compound name

N-thieno[3,2-d][1,3]thiazol-2-ylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 260.0078 Da
Monoisotopic Mass: 3.6
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]+	261.01508	154.4
[M+Na]+	282.99702	166.1
[M-H]-	259.00052	162.3
[M+NH4]+	278.04162	175.6
[M+K]+	298.97096	161.2
[M+H-H2O]+	243.00506	149.3
[M+HCOO]-	305.00600	171.4
[M+CH3COO]-	319.02165	168.1
[M+Na-2H]-	280.98247	156.5
[M]+	260.00725	159.3
[M]-	260.00835	159.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe