CID 113983

Pseudourea, 2,2'-(2-butynylene)dithiodi-, dihydrochloride

Structural Information

Molecular Formula
C6H10N4S2
SMILES
C(C#CCSC(=N)N)SC(=N)N
InChI
InChI=1S/C6H10N4S2/c7-5(8)11-3-1-2-4-12-6(9)10/h3-4H2,(H3,7,8)(H3,9,10)
InChIKey
AIVVCKWVKOVJEV-UHFFFAOYSA-N
Compound name
4-carbamimidoylsulfanylbut-2-ynyl carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

202.03468 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.04196 150.9
[M+Na]+ 225.02390 156.8
[M-H]- 201.02740 149.5
[M+NH4]+ 220.06850 166.4
[M+K]+ 240.99784 153.5
[M+H-H2O]+ 185.03194 138.3
[M+HCOO]- 247.03288 158.3
[M+CH3COO]- 261.04853 197.2
[M+Na-2H]- 223.00935 148.8
[M]+ 202.03413 141.1
[M]- 202.03523 141.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe