CID 246529

Nsc59749

Structural Information

Molecular Formula

C₇H₅N₃O₂S

SMILES

C1=COC(=C1)C2=C(N=NS2)C(=O)N

InChI

InChI=1S/C7H5N3O2S/c8-7(11)5-6(13-10-9-5)4-2-1-3-12-4/h1-3H,(H2,8,11)

InChIKey

JVBJCTDZLAGDTF-UHFFFAOYSA-N

Compound name

5-(furan-2-yl)thiadiazole-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 0
Patents: 195.01025 Da
Monoisotopic Mass: 0.4
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]+	196.017526	136.8
[M+Na]+	217.999468	148.2
[M-H]-	194.002974	143.1
[M+NH4]+	213.044073	156.1
[M+K]+	233.973408	146.9
[M+H-H2O]+	178.007510	130.3
[M+HCOO]-	240.008451	158.2
[M+CH3COO]-	254.024101	151.5
[M+Na-2H]-	215.984916	139.3
[M]+	195.00970142	140.7
[M]-	195.01079858	140.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.