CID 9570499

2-furaldehyde, 5-nitro-, (butylaminoacetyl)hydrazone, acetate

Structural Information

Molecular Formula
C11H16N4O4
SMILES
CCCCNCC(=O)N/N=C/C1=CC=C(O1)[N+](=O)[O-]
InChI
InChI=1S/C11H16N4O4/c1-2-3-6-12-8-10(16)14-13-7-9-4-5-11(19-9)15(17)18/h4-5,7,12H,2-3,6,8H2,1H3,(H,14,16)/b13-7+
InChIKey
VVTCGYMUPZCHRW-NTUHNPAUSA-N
Compound name
2-(butylamino)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.11716 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.124436 160.2
[M+Na]+ 291.106378 163.9
[M-H]- 267.109884 165.3
[M+NH4]+ 286.150983 175.5
[M+K]+ 307.080318 159.8
[M+H-H2O]+ 251.114420 156.7
[M+HCOO]- 313.115361 189.0
[M+CH3COO]- 327.131011 198.9
[M+Na-2H]- 289.091826 167.2
[M]+ 268.11661142 161.0
[M]- 268.11770858 161.0
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.