CID 9578672

5-nitro-2-furaldehyde n-amino-n-acethydrazone piperidinium bromide

Structural Information

Molecular Formula
C12H18N5O4
SMILES
C1CC[N+](CC1)(CC(=O)N/N=C/C2=CC=C(O2)[N+](=O)[O-])N
InChI
InChI=1S/C12H17N5O4/c13-17(6-2-1-3-7-17)9-11(18)15-14-8-10-4-5-12(21-10)16(19)20/h4-5,8H,1-3,6-7,9,13H2/p+1/b14-8+
InChIKey
BFNUPFVWEJHJSJ-RIYZIHGNSA-O
Compound name
2-(1-aminopiperidin-1-ium-1-yl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.13586 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.14314 160.9
[M+Na]+ 319.12508 162.8
[M-H]- 295.12858 166.8
[M+NH4]+ 314.16968 174.5
[M+K]+ 335.09902 152.5
[M+H-H2O]+ 279.13312 159.8
[M+HCOO]- 341.13406 183.8
[M+CH3COO]- 355.14971 193.3
[M+Na-2H]- 317.11053 170.5
[M]+ 296.13531 153.6
[M]- 296.13641 153.6
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.