CID 55618

Brn 4577821

Structural Information

Molecular Formula
C24H38N2O5
SMILES
CC(=O)C1=C(C=C(C=C1)OCC(CN2CCCCC2)O)OCC(CN3CCCCC3)O
InChI
InChI=1S/C24H38N2O5/c1-19(27)23-9-8-22(30-17-20(28)15-25-10-4-2-5-11-25)14-24(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
XCVIACYTKZENBI-UHFFFAOYSA-N
Compound name
1-[2,4-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 206.7
[M+Na]+ 457.26730 203.5
[M-H]- 433.27080 207.5
[M+NH4]+ 452.31190 210.2
[M+K]+ 473.24124 200.4
[M+H-H2O]+ 417.27534 195.3
[M+HCOO]- 479.27628 212.7
[M+CH3COO]- 493.29193 225.0
[M+Na-2H]- 455.25275 200.9
[M]+ 434.27753 200.6
[M]- 434.27863 200.6
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.