CID 9578670

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

Structural Information

Molecular Formula
C11H16N5O4
SMILES
C1CC[N+](C1)(CC(=O)N/N=C/C2=CC=C(O2)[N+](=O)[O-])N
InChI
InChI=1S/C11H15N5O4/c12-16(5-1-2-6-16)8-10(17)14-13-7-9-3-4-11(20-9)15(18)19/h3-4,7H,1-2,5-6,8,12H2/p+1/b13-7+
InChIKey
YRUGKSJLDRBHAU-NTUHNPAUSA-O
Compound name
2-(1-aminopyrrolidin-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

282.12024 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.12752 157.2
[M+Na]+ 305.10946 160.1
[M-H]- 281.11296 163.8
[M+NH4]+ 300.15406 173.1
[M+K]+ 321.08340 150.3
[M+H-H2O]+ 265.11750 156.7
[M+HCOO]- 327.11844 182.4
[M+CH3COO]- 341.13409 190.2
[M+Na-2H]- 303.09491 166.4
[M]+ 282.11969 151.5
[M]- 282.12079 151.5
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.