CID 170455819

5-[(5-nitro-1,3-thiazol-2-yl)sulfinyl]-1,3,4-thiadiazol-2-amine

Structural Information

Molecular Formula
C5H3N5O3S3
SMILES
C1=C(SC(=N1)S(=O)C2=NN=C(S2)N)[N+](=O)[O-]
InChI
InChI=1S/C5H3N5O3S3/c6-3-8-9-5(15-3)16(13)4-7-1-2(14-4)10(11)12/h1H,(H2,6,8)
InChIKey
UAMKFJLDAYBAAU-UHFFFAOYSA-N
Compound name
5-[(5-nitro-1,3-thiazol-2-yl)sulfinyl]-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.9398 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.947076 149.3
[M+Na]+ 299.929018 160.0
[M-H]- 275.932524 153.3
[M+NH4]+ 294.973623 164.2
[M+K]+ 315.902958 150.4
[M+H-H2O]+ 259.937060 147.4
[M+HCOO]- 321.938001 159.8
[M+CH3COO]- 335.953651 187.3
[M+Na-2H]- 297.914466 151.7
[M]+ 276.93925142 148.5
[M]- 276.94034858 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.