CID 9570082

Brn 1351741

Structural Information

Molecular Formula
C13H20N4O4
SMILES
CC(C)N(CC(=O)N/N=C/C1=CC=C(O1)[N+](=O)[O-])C(C)C
InChI
InChI=1S/C13H20N4O4/c1-9(2)16(10(3)4)8-12(18)15-14-7-11-5-6-13(21-11)17(19)20/h5-7,9-10H,8H2,1-4H3,(H,15,18)/b14-7+
InChIKey
HDSDGRXOONRLIE-VGOFMYFVSA-N
Compound name
2-[di(propan-2-yl)amino]-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.14847 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.15575 170.0
[M+Na]+ 319.13769 176.2
[M+NH4]+ 314.18229 174.6
[M+K]+ 335.11163 178.1
[M-H]- 295.14119 173.2
[M+Na-2H]- 317.12314 171.5
[M]+ 296.14792 171.0
[M]- 296.14902 171.0
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.