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 172.1
[M+Na]+ 319.13769 174.8
[M-H]- 295.14119 178.6
[M+NH4]+ 314.18229 186.8
[M+K]+ 335.11163 172.6
[M+H-H2O]+ 279.14573 168.6
[M+HCOO]- 341.14667 198.7
[M+CH3COO]- 355.16232 209.8
[M+Na-2H]- 317.12314 174.8
[M]+ 296.14792 173.6
[M]- 296.14902 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.