CID 1872420

106649-96-1

Structural Information

Molecular Formula

C₆H₁₀N₆S₂

SMILES

C1=C(N=C(S1)N=C(N)N)CSC(=N)N

InChI

InChI=1S/C6H10N6S2/c7-4(8)12-6-11-3(2-14-6)1-13-5(9)10/h2H,1H2,(H3,9,10)(H4,7,8,11,12)

InChIKey

QUBHCMPAOWIZMT-UHFFFAOYSA-N

Compound name

[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methyl carbamimidothioate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 58
Patents: 230.04083 Da
Monoisotopic Mass: 0.6
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]+	231.048106	143.5
[M+Na]+	253.030048	149.5
[M-H]-	229.033554	145.4
[M+NH4]+	248.074653	160.5
[M+K]+	269.003988	144.8
[M+H-H2O]+	213.038090	135.3
[M+HCOO]-	275.039031	159.4
[M+CH3COO]-	289.054681	199.2
[M+Na-2H]-	251.015496	143.5
[M]+	230.04028142	139.1
[M]-	230.04137858	139.1

Literature stripe

literature stripe

Patent stripe

patents stripe