CID 9576396

67642-21-1

Structural Information

Molecular Formula
C15H23N3O5
SMILES
CC1CCCC(N1CC(CO/N=C/C2=CC=C(O2)[N+](=O)[O-])O)C
InChI
InChI=1S/C15H23N3O5/c1-11-4-3-5-12(2)17(11)9-13(19)10-22-16-8-14-6-7-15(23-14)18(20)21/h6-8,11-13,19H,3-5,9-10H2,1-2H3/b16-8+
InChIKey
ZWYRRICTZOUHEE-LZYBPNLTSA-N
Compound name
1-(2,6-dimethylpiperidin-1-yl)-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]oxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

325.16376 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.171036 176.6
[M+Na]+ 348.152978 179.4
[M-H]- 324.156484 181.8
[M+NH4]+ 343.197583 188.3
[M+K]+ 364.126918 174.6
[M+H-H2O]+ 308.161020 172.8
[M+HCOO]- 370.161961 196.6
[M+CH3COO]- 384.177611 204.0
[M+Na-2H]- 346.138426 179.0
[M]+ 325.16321142 175.4
[M]- 325.16430858 175.4
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.