CID 9578566

Brn 0902856

Structural Information

Molecular Formula
C23H39N5O4
SMILES
CCCCCCCCCCCCN1CCN(CC1)CC(=O)N/N=C/C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C23H39N5O4/c1-2-3-4-5-6-7-8-9-10-11-14-26-15-17-27(18-16-26)20-22(29)25-24-19-21-12-13-23(32-21)28(30)31/h12-13,19H,2-11,14-18,20H2,1H3,(H,25,29)/b24-19+
InChIKey
CCHBTNJEGCQECM-LYBHJNIJSA-N
Compound name
2-(4-dodecylpiperazin-1-yl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.3002 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.30748 215.2
[M+Na]+ 472.28942 213.4
[M-H]- 448.29292 218.6
[M+NH4]+ 467.33402 220.4
[M+K]+ 488.26336 206.4
[M+H-H2O]+ 432.29746 208.1
[M+HCOO]- 494.29840 233.6
[M+CH3COO]- 508.31405 233.2
[M+Na-2H]- 470.27487 215.3
[M]+ 449.29965 215.5
[M]- 449.30075 215.5
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.