CID 6434137

N,n-dipropylglycine 2-(5-nitrofurfurylidene)hydrazide

Structural Information

Molecular Formula
C13H20N4O4
SMILES
CCCN(CCC)/C(=C\C1=CC=C(O1)[N+](=O)[O-])/C(=O)NN
InChI
InChI=1S/C13H20N4O4/c1-3-7-16(8-4-2)11(13(18)15-14)9-10-5-6-12(21-10)17(19)20/h5-6,9H,3-4,7-8,14H2,1-2H3,(H,15,18)/b11-9-
InChIKey
PWJDQGYCPYBAEA-LUAWRHEFSA-N
Compound name
(Z)-2-(dipropylamino)-3-(5-nitrofuran-2-yl)prop-2-enehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.14847 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.155746 171.4
[M+Na]+ 319.137688 173.7
[M-H]- 295.141194 175.8
[M+NH4]+ 314.182293 185.2
[M+K]+ 335.111628 169.9
[M+H-H2O]+ 279.145730 167.8
[M+HCOO]- 341.146671 196.9
[M+CH3COO]- 355.162321 205.8
[M+Na-2H]- 317.123136 173.8
[M]+ 296.14792142 170.5
[M]- 296.14901858 170.5
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.