CID 3008057

5-(5-nitrothiazol-2-yl)-1,3,4-thiadiazol-2-amine

Structural Information

Molecular Formula
C5H3N5O2S2
SMILES
C1=C(SC(=N1)C2=NN=C(S2)N)[N+](=O)[O-]
InChI
InChI=1S/C5H3N5O2S2/c6-5-9-8-4(14-5)3-7-1-2(13-3)10(11)12/h1H,(H2,6,9)
InChIKey
XUMHVIYZSWEMKD-UHFFFAOYSA-N
Compound name
5-(5-nitro-1,3-thiazol-2-yl)-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

228.97282 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.98010 138.9
[M+Na]+ 251.96204 150.3
[M-H]- 227.96554 143.7
[M+NH4]+ 247.00664 156.3
[M+K]+ 267.93598 142.3
[M+H-H2O]+ 211.97008 136.5
[M+HCOO]- 273.97102 156.2
[M+CH3COO]- 287.98667 179.7
[M+Na-2H]- 249.94749 142.7
[M]+ 228.97227 139.2
[M]- 228.97337 139.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.