CID 2809886

Oprea1_344314

Structural Information

Molecular Formula
C16H23N3O5
SMILES
CC1=CC(=C(C=C1)OCC(CN2CCC(CC2)C(=O)N)O)[N+](=O)[O-]
InChI
InChI=1S/C16H23N3O5/c1-11-2-3-15(14(8-11)19(22)23)24-10-13(20)9-18-6-4-12(5-7-18)16(17)21/h2-3,8,12-13,20H,4-7,9-10H2,1H3,(H2,17,21)
InChIKey
SKRBYZSAQPFRPY-UHFFFAOYSA-N
Compound name
1-[2-hydroxy-3-(4-methyl-2-nitrophenoxy)propyl]piperidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

337.16376 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.171036 176.7
[M+Na]+ 360.152978 178.4
[M-H]- 336.156484 179.1
[M+NH4]+ 355.197583 186.1
[M+K]+ 376.126918 172.0
[M+H-H2O]+ 320.161020 172.5
[M+HCOO]- 382.161961 193.5
[M+CH3COO]- 396.177611 205.3
[M+Na-2H]- 358.138426 177.4
[M]+ 337.16321142 171.3
[M]- 337.16430858 171.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.