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 165.0
[M+Na]+ 369.08865 172.2
[M-H]- 345.09215 165.3
[M+NH4]+ 364.13325 178.2
[M+K]+ 385.06259 166.7
[M+H-H2O]+ 329.09669 159.6
[M+HCOO]- 391.09763 172.4
[M+CH3COO]- 405.11328 173.2
[M+Na-2H]- 367.07410 165.9
[M]+ 346.09888 160.0
[M]- 346.09998 160.0
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.