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]+ 321.21728 178.9
[M+Na]+ 343.19922 179.7
[M-H]- 319.20272 180.8
[M+NH4]+ 338.24382 189.9
[M+K]+ 359.17316 176.6
[M+H-H2O]+ 303.20726 169.6
[M+HCOO]- 365.20820 194.6
[M+CH3COO]- 379.22385 207.7
[M+Na-2H]- 341.18467 178.8
[M]+ 320.20945 175.6
[M]- 320.21055 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.