CID 7340377

Brn 1323884

Structural Information

Molecular Formula
C12H9N3O4S
SMILES
C1=CSC(=C1)C(=O)N/N=C/C=C/C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C12H9N3O4S/c16-12(10-4-2-8-20-10)14-13-7-1-3-9-5-6-11(19-9)15(17)18/h1-8H,(H,14,16)/b3-1+,13-7+
InChIKey
GHQRKQWRRAIQAB-FQCGHSSNSA-N
Compound name
N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

291.03137 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.03865 163.8
[M+Na]+ 314.02059 173.1
[M+NH4]+ 309.06519 170.1
[M+K]+ 329.99453 172.3
[M-H]- 290.02409 169.0
[M+Na-2H]- 312.00604 168.8
[M]+ 291.03082 166.5
[M]- 291.03192 166.5
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

patents stripe