CID 57896

100482-39-1

Structural Information

Molecular Formula
C18H28N2O3
SMILES
CCCNC1=CC=C(C=C1)C(=O)OCC(CN2CCCCC2)O
InChI
InChI=1S/C18H28N2O3/c1-2-10-19-16-8-6-15(7-9-16)18(22)23-14-17(21)13-20-11-4-3-5-12-20/h6-9,17,19,21H,2-5,10-14H2,1H3
InChIKey
AVKJAGVFYLZSRK-UHFFFAOYSA-N
Compound name
(2-hydroxy-3-piperidin-1-ylpropyl) 4-(propylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.21 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.217276 178.9
[M+Na]+ 343.199218 179.7
[M-H]- 319.202724 180.8
[M+NH4]+ 338.243823 189.9
[M+K]+ 359.173158 176.6
[M+H-H2O]+ 303.207260 169.6
[M+HCOO]- 365.208201 194.6
[M+CH3COO]- 379.223851 207.7
[M+Na-2H]- 341.184666 178.8
[M]+ 320.20945142 175.6
[M]- 320.21054858 175.6
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.