CID 9570731

2-furaldehyde, 5-nitro-, (1-(4-methylpiperazinyl)ethylcarbonyl)hydrazone, dihydrate

Structural Information

Molecular Formula
C13H19N5O4
SMILES
CC(C(=O)N/N=C/C1=CC=C(O1)[N+](=O)[O-])N2CCN(CC2)C
InChI
InChI=1S/C13H19N5O4/c1-10(17-7-5-16(2)6-8-17)13(19)15-14-9-11-3-4-12(22-11)18(20)21/h3-4,9-10H,5-8H2,1-2H3,(H,15,19)/b14-9+
InChIKey
NGCVQRNROQZUCI-NTEUORMPSA-N
Compound name
2-(4-methylpiperazin-1-yl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]propanamide
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]+ 310.15098 168.7
[M+Na]+ 332.13292 176.5
[M+NH4]+ 327.17752 173.2
[M+K]+ 348.10686 177.9
[M-H]- 308.13642 172.4
[M+Na-2H]- 330.11837 171.3
[M]+ 309.14315 170.1
[M]- 309.14425 170.1
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.