CID 7340377

2-thiophenecarboxylic acid, (3-(5-nitro-2-furanyl)-2-propenylidene)hydrazide

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]+ 292.038646 166.6
[M+Na]+ 314.020588 173.2
[M-H]- 290.024094 176.2
[M+NH4]+ 309.065193 183.5
[M+K]+ 329.994528 166.9
[M+H-H2O]+ 274.028630 163.8
[M+HCOO]- 336.029571 192.6
[M+CH3COO]- 350.045221 194.6
[M+Na-2H]- 312.006036 171.1
[M]+ 291.03082142 169.2
[M]- 291.03191858 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