CID 2744265

Maybridge3_007277

Structural Information

Molecular Formula

C₁₀H₁₁N₃O₃S₃

SMILES

CCOC(=O)C1=NOC(=C1)CSC2=NN=C(S2)SC

InChI

InChI=1S/C10H11N3O3S3/c1-3-15-8(14)7-4-6(16-13-7)5-18-10-12-11-9(17-2)19-10/h4H,3,5H2,1-2H3

InChIKey

WMSYFVFZQPSZHD-UHFFFAOYSA-N

Compound name

ethyl 5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2-oxazole-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 316.99625 Da
Monoisotopic Mass: 2.6
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]+	318.003526	164.5
[M+Na]+	339.985468	177.1
[M-H]-	315.988974	169.4
[M+NH4]+	335.030073	179.1
[M+K]+	355.959408	173.1
[M+H-H2O]+	299.993510	159.4
[M+HCOO]-	361.994451	173.0
[M+CH3COO]-	376.010101	176.4
[M+Na-2H]-	337.970916	161.9
[M]+	316.99570142	173.3
[M]-	316.99679858	173.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.