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 181.9
[M+Na]+ 369.08056 185.0
[M-H]- 345.08406 191.5
[M+NH4]+ 364.12516 193.6
[M+K]+ 385.05450 181.5
[M+H-H2O]+ 329.08860 178.0
[M+HCOO]- 391.08954 210.4
[M+CH3COO]- 405.10519 209.7
[M+Na-2H]- 367.06601 186.9
[M]+ 346.09079 184.0
[M]- 346.09189 184.0
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.