CID 9570489

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

Structural Information

Molecular Formula
C17H28N4O4
SMILES
CCCCCN(CCCCC)CC(=O)N/N=C/C1=CC=C(O1)[N+](=O)[O-]
InChI
InChI=1S/C17H28N4O4/c1-3-5-7-11-20(12-8-6-4-2)14-16(22)19-18-13-15-9-10-17(25-15)21(23)24/h9-10,13H,3-8,11-12,14H2,1-2H3,(H,19,22)/b18-13+
InChIKey
HWDPSQSTOIACSI-QGOAFFKASA-N
Compound name
2-(dipentylamino)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.21106 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.218336 190.3
[M+Na]+ 375.200278 191.6
[M-H]- 351.203784 195.7
[M+NH4]+ 370.244883 202.8
[M+K]+ 391.174218 187.5
[M+H-H2O]+ 335.208320 185.6
[M+HCOO]- 397.209261 217.5
[M+CH3COO]- 411.224911 220.3
[M+Na-2H]- 373.185726 193.3
[M]+ 352.21051142 194.4
[M]- 352.21160858 194.4
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.