CID 5374030

Hb 126

Structural Information

Molecular Formula
C8H6N4O3S
SMILES
C1=C(OC(=C1)[N+](=O)[O-])/C=C/C2=NN=C(S2)N
InChI
InChI=1S/C8H6N4O3S/c9-8-11-10-6(16-8)3-1-5-2-4-7(15-5)12(13)14/h1-4H,(H2,9,11)/b3-1+
InChIKey
MGNMUKBSXWSYGL-HNQUOIGGSA-N
Compound name
5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

238.01607 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.02335 145.9
[M+Na]+ 261.00529 157.4
[M+NH4]+ 256.04989 152.7
[M+K]+ 276.97923 157.4
[M-H]- 237.00879 150.2
[M+Na-2H]- 258.99074 151.1
[M]+ 238.01552 148.8
[M]- 238.01662 148.8
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

patents stripe