CID 118278

36115-57-8

Structural Information

Molecular Formula
C22H30N2O3
SMILES
CCC(C1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=CC=CC=C3)O)O
InChI
InChI=1S/C22H30N2O3/c1-2-22(26)18-8-10-21(11-9-18)27-17-20(25)16-23-12-14-24(15-13-23)19-6-4-3-5-7-19/h3-11,20,22,25-26H,2,12-17H2,1H3
InChIKey
QPMZZGUMMBFZBE-UHFFFAOYSA-N
Compound name
1-[4-(1-hydroxypropyl)phenoxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.22565 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.23293 193.2
[M+Na]+ 393.21487 204.7
[M+NH4]+ 388.25947 199.1
[M+K]+ 409.18881 197.9
[M-H]- 369.21837 196.8
[M+Na-2H]- 391.20032 199.6
[M]+ 370.22510 195.6
[M]- 370.22620 195.6
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.