CID 9570394

24637-22-7

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]+ 338.182296 179.3
[M+Na]+ 360.164238 181.1
[M-H]- 336.167744 184.2
[M+NH4]+ 355.208843 189.2
[M+K]+ 376.138178 175.8
[M+H-H2O]+ 320.172280 173.7
[M+HCOO]- 382.173221 200.5
[M+CH3COO]- 396.188871 209.4
[M+Na-2H]- 358.149686 183.3
[M]+ 337.17447142 176.9
[M]- 337.17556858 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.