CID 14457221

74886-59-2

Structural Information

Molecular Formula
C10H18N8S2
SMILES
CN=C(NCCSSCCNC(=NC)NC#N)NC#N
InChI
InChI=1S/C10H18N8S2/c1-13-9(17-7-11)15-3-5-19-20-6-4-16-10(14-2)18-8-12/h3-6H2,1-2H3,(H2,13,15,17)(H2,14,16,18)
InChIKey
TVTGYLDJRZJUDE-UHFFFAOYSA-N
Compound name
1-cyano-3-[2-[2-[(N-cyano-N'-methylcarbamimidoyl)amino]ethyldisulfanyl]ethyl]-2-methylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.1096 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.11688 179.2
[M+Na]+ 337.09882 182.9
[M-H]- 313.10232 182.2
[M+NH4]+ 332.14342 188.3
[M+K]+ 353.07276 184.3
[M+H-H2O]+ 297.10686 162.2
[M+HCOO]- 359.10780 186.5
[M+CH3COO]- 373.12345 239.2
[M+Na-2H]- 335.08427 178.5
[M]+ 314.10905 171.6
[M]- 314.11015 171.6
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

No patent data available for this compound.