CID 216943

37914-87-7

Structural Information

Molecular Formula
C10H24N6S2
SMILES
CCN(CCSSCCN(CC)C(=N)N)C(=N)N
InChI
InChI=1S/C10H24N6S2/c1-3-15(9(11)12)5-7-17-18-8-6-16(4-2)10(13)14/h3-8H2,1-2H3,(H3,11,12)(H3,13,14)
InChIKey
OJEKOQABVKMARK-UHFFFAOYSA-N
Compound name
1-[2-[2-[carbamimidoyl(ethyl)amino]ethyldisulfanyl]ethyl]-1-ethylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.1504 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.15768 165.1
[M+Na]+ 315.13962 165.2
[M-H]- 291.14312 164.8
[M+NH4]+ 310.18422 178.9
[M+K]+ 331.11356 162.2
[M+H-H2O]+ 275.14766 155.2
[M+HCOO]- 337.14860 178.5
[M+CH3COO]- 351.16425 221.4
[M+Na-2H]- 313.12507 162.5
[M]+ 292.14985 162.7
[M]- 292.15095 162.7
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.