CID 3037285

1072-12-4

Structural Information

Molecular Formula

C₄H₈N₆S₂

SMILES

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

InChI

InChI=1S/C4H8N6S2/c5-3(11)9-7-1-2-8-10-4(6)12/h1-2H,(H3,5,9,11)(H3,6,10,12)

InChIKey

BZKLDUBXTMDNMW-UHFFFAOYSA-N

Compound name

[2-(carbamothioylhydrazinylidene)ethylideneamino]thiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 204.02519 Da
Monoisotopic Mass: -0.7
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]+	205.03247	141.2
[M+Na]+	227.01441	143.6
[M+NH4]+	222.05901	146.9
[M+K]+	242.98835	137.4
[M-H]-	203.01791	142.4
[M+Na-2H]-	224.99986	142.6
[M]+	204.02464	141.8
[M]-	204.02574	141.8

Literature stripe

literature stripe

Patent stripe

patents stripe