CID 9570396

Brn 0902609

Structural Information

Molecular Formula
C21H33N5O4
SMILES
CC(CCC=C(C)C)CCN1CCN(CC1)CC(=O)N/N=C/C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C21H33N5O4/c1-17(2)5-4-6-18(3)9-10-24-11-13-25(14-12-24)16-20(27)23-22-15-19-7-8-21(30-19)26(28)29/h5,7-8,15,18H,4,6,9-14,16H2,1-3H3,(H,23,27)/b22-15+
InChIKey
PWQRTIDMAHIZSV-PXLXIMEGSA-N
Compound name
2-[4-(3,7-dimethyloct-6-enyl)piperazin-1-yl]-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.25327 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.26055 206.4
[M+Na]+ 442.24249 205.4
[M-H]- 418.24599 210.5
[M+NH4]+ 437.28709 212.7
[M+K]+ 458.21643 199.3
[M+H-H2O]+ 402.25053 200.3
[M+HCOO]- 464.25147 223.8
[M+CH3COO]- 478.26712 227.2
[M+Na-2H]- 440.22794 205.2
[M]+ 419.25272 204.0
[M]- 419.25382 204.0
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.