CID 3539646

352530-51-9

Structural Information

Molecular Formula

C₅H₁₀N₆S₂

SMILES

C1=C(N=C(S1)N=C(N)N)CS(=N)N

InChI

InChI=1S/C5H10N6S2/c6-4(7)11-5-10-3(1-12-5)2-13(8)9/h1H,2H2,(H3,8,9)(H4,6,7,10,11)

InChIKey

FOCIEJULSRSNBJ-UHFFFAOYSA-N

Compound name

2-[4-[(aminosulfinimidoyl)methyl]-1,3-thiazol-2-yl]guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 218.04083 Da
Monoisotopic Mass: 1.0
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]+	219.04811	141.1
[M+Na]+	241.03005	145.0
[M+NH4]+	236.07465	147.5
[M+K]+	257.00399	141.0
[M-H]-	217.03355	143.2
[M+Na-2H]-	239.01550	143.8
[M]+	218.04028	142.3
[M]-	218.04138	142.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe