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]+ 297.15575 171.4
[M+Na]+ 319.13769 173.7
[M-H]- 295.14119 175.8
[M+NH4]+ 314.18229 185.2
[M+K]+ 335.11163 169.9
[M+H-H2O]+ 279.14573 167.8
[M+HCOO]- 341.14667 196.9
[M+CH3COO]- 355.16232 205.8
[M+Na-2H]- 317.12314 173.8
[M]+ 296.14792 170.5
[M]- 296.14902 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.