CID 9570390

Brn 0898865

Structural Information

Molecular Formula
C13H19N5O5
SMILES
C1CN(CCN1CCO)CC(=O)N/N=C/C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C13H19N5O5/c19-8-7-16-3-5-17(6-4-16)10-12(20)15-14-9-11-1-2-13(23-11)18(21)22/h1-2,9,19H,3-8,10H2,(H,15,20)/b14-9+
InChIKey
SXNFFTJCEYBMAS-NTEUORMPSA-N
Compound name
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.1386 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.14588 171.6
[M+Na]+ 348.12782 173.5
[M-H]- 324.13132 175.5
[M+NH4]+ 343.17242 181.1
[M+K]+ 364.10176 168.5
[M+H-H2O]+ 308.13586 166.4
[M+HCOO]- 370.13680 192.1
[M+CH3COO]- 384.15245 203.1
[M+Na-2H]- 346.11327 176.6
[M]+ 325.13805 168.0
[M]- 325.13915 168.0
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.