CID 170454170

N-[5-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl]hydroxylamine

Structural Information

Molecular Formula
C5H3N5O3S3
SMILES
C1=C(SC(=N1)SC2=NN=C(S2)NO)[N+](=O)[O-]
InChI
InChI=1S/C5H3N5O3S3/c11-9-3-7-8-5(15-3)16-4-6-1-2(14-4)10(12)13/h1,11H,(H,7,9)
InChIKey
AUHHHPULFXDZGE-UHFFFAOYSA-N
Compound name
N-[5-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.9398 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.947076 146.7
[M+Na]+ 299.929018 157.1
[M-H]- 275.932524 149.7
[M+NH4]+ 294.973623 161.3
[M+K]+ 315.902958 147.1
[M+H-H2O]+ 259.937060 144.9
[M+HCOO]- 321.938001 157.4
[M+CH3COO]- 335.953651 185.7
[M+Na-2H]- 297.914466 150.7
[M]+ 276.93925142 146.3
[M]- 276.94034858 146.3
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.