CID 55619

Brn 4577814

Structural Information

Molecular Formula
C24H38N2O5
SMILES
CC(=O)C1=C(C=CC(=C1)OCC(CN2CCCCC2)O)OCC(CN3CCCCC3)O
InChI
InChI=1S/C24H38N2O5/c1-19(27)23-14-22(30-17-20(28)15-25-10-4-2-5-11-25)8-9-24(23)31-18-21(29)16-26-12-6-3-7-13-26/h8-9,14,20-21,28-29H,2-7,10-13,15-18H2,1H3
InChIKey
NLMCPCLDAMVMAC-UHFFFAOYSA-N
Compound name
1-[2,5-bis(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.27808 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.28536 207.9
[M+Na]+ 457.26730 214.7
[M+NH4]+ 452.31190 211.6
[M+K]+ 473.24124 210.3
[M-H]- 433.27080 209.3
[M+Na-2H]- 455.25275 209.9
[M]+ 434.27753 208.6
[M]- 434.27863 208.6
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.