CID 19646

Tenonitrozole

Structural Information

Molecular Formula
C8H5N3O3S2
SMILES
C1=CSC(=C1)C(=O)NC2=NC=C(S2)[N+](=O)[O-]
InChI
InChI=1S/C8H5N3O3S2/c12-7(5-2-1-3-15-5)10-8-9-4-6(16-8)11(13)14/h1-4H,(H,9,10,12)
InChIKey
ZLOXYEZYWCTXHU-UHFFFAOYSA-N
Compound name
N-(5-nitro-1,3-thiazol-2-yl)thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

19
References

1748
Patents

254.97723 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.98451 147.6
[M+Na]+ 277.96645 157.6
[M+NH4]+ 273.01105 155.4
[M+K]+ 293.94039 155.3
[M-H]- 253.96995 151.3
[M+Na-2H]- 275.95190 153.3
[M]+ 254.97668 150.6
[M]- 254.97778 150.6
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

patents stripe