CID 9578715

Brn 1337827

Structural Information

Molecular Formula
C23H23N5O8
SMILES
C1=COC(=C1)C(=O)NCCCC[C@@H](C(=O)N/N=C/C=C/C2=CC=C(O2)[N+](=O)[O-])NC(=O)C3=CC=CO3
InChI
InChI=1S/C23H23N5O8/c29-21(27-25-13-3-6-16-10-11-20(36-16)28(32)33)17(26-23(31)19-9-5-15-35-19)7-1-2-12-24-22(30)18-8-4-14-34-18/h3-6,8-11,13-15,17H,1-2,7,12H2,(H,24,30)(H,26,31)(H,27,29)/b6-3+,25-13+/t17-/m0/s1
InChIKey
VPZQOKOPIVBEOQ-CQIFQYAZSA-N
Compound name
N-[(5S)-5-(furan-2-carbonylamino)-6-[(2E)-2-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]-6-oxohexyl]furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

497.15466 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 498.16194 217.6
[M+Na]+ 520.14388 221.3
[M+NH4]+ 515.18848 218.2
[M+K]+ 536.11782 227.8
[M-H]- 496.14738 224.1
[M+Na-2H]- 518.12933 218.6
[M]+ 497.15411 218.9
[M]- 497.15521 218.9
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.