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 191.7
[M+Na]+ 393.21487 192.8
[M-H]- 369.21837 194.1
[M+NH4]+ 388.25947 198.5
[M+K]+ 409.18881 187.8
[M+H-H2O]+ 353.22291 180.6
[M+HCOO]- 415.22385 203.1
[M+CH3COO]- 429.23950 213.4
[M+Na-2H]- 391.20032 190.5
[M]+ 370.22510 187.5
[M]- 370.22620 187.5
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.