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 166.6
[M+Na]+ 314.02059 173.2
[M-H]- 290.02409 176.2
[M+NH4]+ 309.06519 183.5
[M+K]+ 329.99453 166.9
[M+H-H2O]+ 274.02863 163.8
[M+HCOO]- 336.02957 192.6
[M+CH3COO]- 350.04522 194.6
[M+Na-2H]- 312.00604 171.1
[M]+ 291.03082 169.2
[M]- 291.03192 169.2
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