CID 216945

37914-90-2

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.1504 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.15768 161.7
[M+Na]+ 315.13962 162.6
[M-H]- 291.14312 161.5
[M+NH4]+ 310.18422 176.0
[M+K]+ 331.11356 158.5
[M+H-H2O]+ 275.14766 151.9
[M+HCOO]- 337.14860 177.4
[M+CH3COO]- 351.16425 218.4
[M+Na-2H]- 313.12507 161.4
[M]+ 292.14985 160.4
[M]- 292.15095 160.4
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.