CID 9570394

Brn 0898403

Structural Information

Molecular Formula
C15H23N5O4
SMILES
CCCCN1CCN(CC1)CC(=O)N/N=C/C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C15H23N5O4/c1-2-3-6-18-7-9-19(10-8-18)12-14(21)17-16-11-13-4-5-15(24-13)20(22)23/h4-5,11H,2-3,6-10,12H2,1H3,(H,17,21)/b16-11+
InChIKey
CFPOQCPZKHPNPN-LFIBNONCSA-N
Compound name
2-(4-butylpiperazin-1-yl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.17502 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.18230 179.3
[M+Na]+ 360.16424 181.1
[M-H]- 336.16774 184.2
[M+NH4]+ 355.20884 189.2
[M+K]+ 376.13818 175.8
[M+H-H2O]+ 320.17228 173.7
[M+HCOO]- 382.17322 200.5
[M+CH3COO]- 396.18887 209.4
[M+Na-2H]- 358.14969 183.3
[M]+ 337.17447 176.9
[M]- 337.17557 176.9
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.