CID 6399216

Gloxazone

Structural Information

Molecular Formula

C₈H₁₆N₆OS₂

SMILES

CCOC(C)C(=NNC(=S)N)C=NNC(=S)N

InChI

InChI=1S/C8H16N6OS2/c1-3-15-5(2)6(12-14-8(10)17)4-11-13-7(9)16/h4-5H,3H2,1-2H3,(H3,9,13,16)(H3,10,14,17)

InChIKey

ARIFZLJIERKKEL-UHFFFAOYSA-N

Compound name

[[1-(carbamothioylhydrazinylidene)-3-ethoxybutan-2-ylidene]amino]thiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 276.0827 Da
Monoisotopic Mass: -0.1
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]+	277.08998	161.1
[M+Na]+	299.07192	161.5
[M+NH4]+	294.11652	165.4
[M+K]+	315.04586	156.6
[M-H]-	275.07542	161.1
[M+Na-2H]-	297.05737	160.8
[M]+	276.08215	161.0
[M]-	276.08325	161.0

Literature stripe

literature stripe

Patent stripe

patents stripe