CID 3088604

118618-55-6

Structural Information

Molecular Formula
C10H18N8O2S2
SMILES
CNC1C(NS(=O)(=O)N1)N2CCC3=C(C2)SC(=N3)N=C(N)N
InChI
InChI=1S/C10H18N8O2S2/c1-13-7-8(17-22(19,20)16-7)18-3-2-5-6(4-18)21-10(14-5)15-9(11)12/h7-8,13,16-17H,2-4H2,1H3,(H4,11,12,14,15)
InChIKey
KEKFFTFOPQBVHK-UHFFFAOYSA-N
Compound name
2-[5-[4-(methylamino)-1,1-dioxo-1,2,5-thiadiazolidin-3-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.09943 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.10671 165.7
[M+Na]+ 369.08865 168.7
[M+NH4]+ 364.13325 171.1
[M+K]+ 385.06259 165.8
[M-H]- 345.09215 165.7
[M+Na-2H]- 367.07410 167.6
[M]+ 346.09888 166.1
[M]- 346.09998 166.1
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.