CID 3063228

Vuf 8430 dihydrobromide

Structural Information

Molecular Formula

C₄H₁₁N₅S

SMILES

C(CSC(=N)N)N=C(N)N

InChI

InChI=1S/C4H11N5S/c5-3(6)9-1-2-10-4(7)8/h1-2H2,(H3,7,8)(H4,5,6,9)

InChIKey

GSYGTVNTZHFQQH-UHFFFAOYSA-N

Compound name

2-(diaminomethylideneamino)ethyl carbamimidothioate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 21
References: 95
Patents: 161.07352 Da
Monoisotopic Mass: -1.4
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]+	162.08080	133.5
[M+Na]+	184.06274	137.1
[M+NH4]+	179.10734	139.7
[M+K]+	200.03668	132.8
[M-H]-	160.06624	134.3
[M+Na-2H]-	182.04819	135.0
[M]+	161.07297	133.8
[M]-	161.07407	133.8

Literature stripe

literature stripe

Patent stripe

patents stripe