CID 3066003

1-(3-piperidinopropionyl)-4-(2-hydroxy-3-(3,4-dimethylphenoxy)propyl)piperazine 2hcl

Structural Information

Molecular Formula
C23H37N3O3
SMILES
CC1=C(C=C(C=C1)OCC(CN2CCN(CC2)C(=O)CCN3CCCCC3)O)C
InChI
InChI=1S/C23H37N3O3/c1-19-6-7-22(16-20(19)2)29-18-21(27)17-25-12-14-26(15-13-25)23(28)8-11-24-9-4-3-5-10-24/h6-7,16,21,27H,3-5,8-15,17-18H2,1-2H3
InChIKey
DUYFWEXQSNKQBO-UHFFFAOYSA-N
Compound name
1-[4-[3-(3,4-dimethylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-3-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.28348 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.29076 203.4
[M+Na]+ 426.27270 212.6
[M+NH4]+ 421.31730 208.2
[M+K]+ 442.24664 206.5
[M-H]- 402.27620 205.8
[M+Na-2H]- 424.25815 206.7
[M]+ 403.28293 205.0
[M]- 403.28403 205.0
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.