CID 3661696

1020719-36-1

Structural Information

Molecular Formula
C8H14N6O4S3
SMILES
C1=C(N=C(S1)N=C(N)N)CS(=O)CCC(=O)NS(=O)(=O)N
InChI
InChI=1S/C8H14N6O4S3/c9-7(10)13-8-12-5(3-19-8)4-20(16)2-1-6(15)14-21(11,17)18/h3H,1-2,4H2,(H,14,15)(H2,11,17,18)(H4,9,10,12,13)
InChIKey
SOOLGLOWIWDUSE-UHFFFAOYSA-N
Compound name
3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfinyl]-N-sulfamoylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.02386 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.03114 171.8
[M+Na]+ 377.01308 171.7
[M+NH4]+ 372.05768 174.4
[M+K]+ 392.98702 169.1
[M-H]- 353.01658 170.2
[M+Na-2H]- 374.99853 171.2
[M]+ 354.02331 171.6
[M]- 354.02441 171.6
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.