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]+ 297.155746 172.1
[M+Na]+ 319.137688 174.8
[M-H]- 295.141194 178.6
[M+NH4]+ 314.182293 186.8
[M+K]+ 335.111628 172.6
[M+H-H2O]+ 279.145730 168.6
[M+HCOO]- 341.146671 198.7
[M+CH3COO]- 355.162321 209.8
[M+Na-2H]- 317.123136 174.8
[M]+ 296.14792142 173.6
[M]- 296.14901858 173.6
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.