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]+ 353.21834 190.3
[M+Na]+ 375.20028 191.6
[M-H]- 351.20378 195.7
[M+NH4]+ 370.24488 202.8
[M+K]+ 391.17422 187.5
[M+H-H2O]+ 335.20832 185.6
[M+HCOO]- 397.20926 217.5
[M+CH3COO]- 411.22491 220.3
[M+Na-2H]- 373.18573 193.3
[M]+ 352.21051 194.4
[M]- 352.21161 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.