CID 612424

Mls000043829

Structural Information

Molecular Formula

C₇H₁₁N₃OS₂

SMILES

CCN1C(=C(SC1=S)C(=O)NC)N

InChI

InChI=1S/C7H11N3OS2/c1-3-10-5(8)4(6(11)9-2)13-7(10)12/h3,8H2,1-2H3,(H,9,11)

InChIKey

DTMHHRFGFHOOKN-UHFFFAOYSA-N

Compound name

4-amino-3-ethyl-N-methyl-2-sulfanylidene-1,3-thiazole-5-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 0
Patents: 217.03435 Da
Monoisotopic Mass: 1.0
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]+	218.04163	147.3
[M+Na]+	240.02357	155.3
[M+NH4]+	235.06817	154.6
[M+K]+	255.99751	149.0
[M-H]-	216.02707	148.4
[M+Na-2H]-	238.00902	149.3
[M]+	217.03380	149.3
[M]-	217.03490	149.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.