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 173.1
[M+Na]+ 377.01308 176.5
[M-H]- 353.01658 172.8
[M+NH4]+ 372.05768 183.7
[M+K]+ 392.98702 170.2
[M+H-H2O]+ 337.02112 164.4
[M+HCOO]- 399.02206 180.5
[M+CH3COO]- 413.03771 217.6
[M+Na-2H]- 374.99853 173.8
[M]+ 354.02331 170.3
[M]- 354.02441 170.3
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.