CID 9570486

33165-17-2

Structural Information

Molecular Formula
C13H19N5O4
SMILES
CCN1CCN(CC1)CC(=O)N/N=C/C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C13H19N5O4/c1-2-16-5-7-17(8-6-16)10-12(19)15-14-9-11-3-4-13(22-11)18(20)21/h3-4,9H,2,5-8,10H2,1H3,(H,15,19)/b14-9+
InChIKey
JCZOOFVQWBRCAL-NTEUORMPSA-N
Compound name
2-(4-ethylpiperazin-1-yl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.1437 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.150976 170.1
[M+Na]+ 332.132918 172.8
[M-H]- 308.136424 175.4
[M+NH4]+ 327.177523 181.2
[M+K]+ 348.106858 168.0
[M+H-H2O]+ 292.140960 164.9
[M+HCOO]- 354.141901 192.0
[M+CH3COO]- 368.157551 203.4
[M+Na-2H]- 330.118366 175.2
[M]+ 309.14315142 167.1
[M]- 309.14424858 167.1
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.