CID 26923

Formamidine disulfide dihydrochloride

Structural Information

Molecular Formula

C₂H₆N₄S₂

SMILES

C(=N)(N)SSC(=N)N

InChI

InChI=1S/C2H6N4S2/c3-1(4)7-8-2(5)6/h(H3,3,4)(H3,5,6)

InChIKey

GJLUFTKZCBBYMV-UHFFFAOYSA-N

Compound name

carbamimidoylsulfanyl carbamimidothioate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 4
References: 589
Patents: 150.00339 Da
Monoisotopic Mass: -0.5
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]+	151.01067	125.8
[M+Na]+	172.99261	131.0
[M-H]-	148.99611	124.6
[M+NH4]+	168.03721	145.0
[M+K]+	188.96655	126.9
[M+H-H2O]+	133.00065	119.1
[M+HCOO]-	195.00159	139.2
[M+CH3COO]-	209.01724	180.4
[M+Na-2H]-	170.97806	126.3
[M]+	150.00284	119.7
[M]-	150.00394	119.7

Literature stripe

literature stripe

Patent stripe

patents stripe