CID 9570578

Brn 1331823

Structural Information

Molecular Formula
C15H14N4O6
SMILES
CC(C(=O)N/N=C/C=C/C1=CC=C(O1)[N+](=O)[O-])NC(=O)C2=CC=CO2
InChI
InChI=1S/C15H14N4O6/c1-10(17-15(21)12-5-3-9-24-12)14(20)18-16-8-2-4-11-6-7-13(25-11)19(22)23/h2-10H,1H3,(H,17,21)(H,18,20)/b4-2+,16-8+
InChIKey
XMVAPJYPBSMXMX-JJJMAJKISA-N
Compound name
N-[1-[(2E)-2-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]-1-oxopropan-2-yl]furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.09134 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.09862 179.3
[M+Na]+ 369.08056 186.1
[M+NH4]+ 364.12516 182.6
[M+K]+ 385.05450 190.0
[M-H]- 345.08406 184.2
[M+Na-2H]- 367.06601 181.8
[M]+ 346.09079 180.8
[M]- 346.09189 180.8
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.