CID 3037919

Kayanex

Structural Information

Molecular Formula

C₃H₁₀N₆S₂

SMILES

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

InChI

InChI=1S/C3H10N6S2/c4-2(10)8-6-1-7-9-3(5)11/h6-7H,1H2,(H3,4,8,10)(H3,5,9,11)

InChIKey

JKSKMVKDSOOOFA-UHFFFAOYSA-N

Compound name

[(2-carbamothioylhydrazinyl)methylamino]thiourea

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1452
Patents: 194.04083 Da
Monoisotopic Mass: -1.5
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]+	195.04811	132.2
[M+Na]+	217.03005	135.1
[M-H]-	193.03355	130.3
[M+NH4]+	212.07465	148.5
[M+K]+	233.00399	130.6
[M+H-H2O]+	177.03809	123.9
[M+HCOO]-	239.03903	146.9
[M+CH3COO]-	253.05468	194.8
[M+Na-2H]-	215.01550	133.9
[M]+	194.04028	124.9
[M]-	194.04138	124.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe