CID 6898871

328585-87-1

Structural Information

Molecular Formula
C10H7N3O4S
SMILES
C1=CSC(=C1)C(=O)N/N=C/C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C10H7N3O4S/c14-10(8-2-1-5-18-8)12-11-6-7-3-4-9(17-7)13(15)16/h1-6H,(H,12,14)/b11-6+
InChIKey
AKBPCJXSFLISFL-IZZDOVSWSA-N
Compound name
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

265.01572 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.022996 157.2
[M+Na]+ 288.004938 164.3
[M-H]- 264.008444 167.0
[M+NH4]+ 283.049543 175.1
[M+K]+ 303.978878 159.1
[M+H-H2O]+ 248.012980 154.7
[M+HCOO]- 310.013921 183.7
[M+CH3COO]- 324.029571 190.2
[M+Na-2H]- 285.990386 162.7
[M]+ 265.01517142 159.9
[M]- 265.01626858 159.9
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