CID 218553

40775-03-9

Structural Information

Molecular Formula
C8H20N6S2
SMILES
C(CN=C(N)N)CSSCCCN=C(N)N
InChI
InChI=1S/C8H20N6S2/c9-7(10)13-3-1-5-15-16-6-2-4-14-8(11)12/h1-6H2,(H4,9,10,13)(H4,11,12,14)
InChIKey
ZZNXAFSSBMXFTF-UHFFFAOYSA-N
Compound name
2-[3-[3-(diaminomethylideneamino)propyldisulfanyl]propyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

264.11908 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.12636 152.1
[M+Na]+ 287.10830 153.7
[M-H]- 263.11180 151.0
[M+NH4]+ 282.15290 166.7
[M+K]+ 303.08224 149.3
[M+H-H2O]+ 247.11634 142.6
[M+HCOO]- 309.11728 167.1
[M+CH3COO]- 323.13293 212.9
[M+Na-2H]- 285.09375 150.7
[M]+ 264.11853 148.2
[M]- 264.11963 148.2
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