CID 224755

22959-74-6

Structural Information

Molecular Formula
C10H16N4S4
SMILES
C1CN2CN(CCN3CN1CSC3=S)C(=S)SC2
InChI
InChI=1S/C10H16N4S4/c15-9-13-3-4-14-6-12(8-18-10(14)16)2-1-11(5-13)7-17-9/h1-8H2
InChIKey
IZNGSLXBUAFPEM-UHFFFAOYSA-N
Compound name
6,13-dithia-1,4,8,11-tetrazatricyclo[9.3.1.14,8]hexadecane-5,14-dithione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.0258 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.03308 157.5
[M+Na]+ 343.01502 163.9
[M-H]- 319.01852 148.3
[M+NH4]+ 338.05962 167.6
[M+K]+ 358.98896 157.4
[M+H-H2O]+ 303.02306 156.5
[M+HCOO]- 365.02400 144.9
[M+CH3COO]- 379.03965 162.3
[M+Na-2H]- 341.00047 159.4
[M]+ 320.02525 148.5
[M]- 320.02635 148.5
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.