CID 9587941

Nifuralide

Structural Information

Molecular Formula
C14H13N5O4S
SMILES
C=CCNC1=NC(=CS1)C(=O)N/N=C/C=C/C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C14H13N5O4S/c1-2-7-15-14-17-11(9-24-14)13(20)18-16-8-3-4-10-5-6-12(23-10)19(21)22/h2-6,8-9H,1,7H2,(H,15,17)(H,18,20)/b4-3+,16-8+
InChIKey
RRYRUSPVJFWMBE-GPHVAQKSSA-N
Compound name
N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]-2-(prop-2-enylamino)-1,3-thiazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

347.06882 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.076096 179.9
[M+Na]+ 370.058038 185.4
[M-H]- 346.061544 188.1
[M+NH4]+ 365.102643 192.9
[M+K]+ 386.031978 177.9
[M+H-H2O]+ 330.066080 175.5
[M+HCOO]- 392.067021 205.0
[M+CH3COO]- 406.082671 208.4
[M+Na-2H]- 368.043486 184.1
[M]+ 347.06827142 182.3
[M]- 347.06936858 182.3
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

No patent data available for this compound.