CID 121388

1-[4-(2-methylphenyl)piperazin-1-yl]-3-phenoxypropan-2-ol

Structural Information

Molecular Formula
C20H26N2O2
SMILES
CC1=CC=CC=C1N2CCN(CC2)CC(COC3=CC=CC=C3)O
InChI
InChI=1S/C20H26N2O2/c1-17-7-5-6-10-20(17)22-13-11-21(12-14-22)15-18(23)16-24-19-8-3-2-4-9-19/h2-10,18,23H,11-16H2,1H3
InChIKey
NHTPPZKMXGJGPT-UHFFFAOYSA-N
Compound name
1-[4-(2-methylphenyl)piperazin-1-yl]-3-phenoxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

326.19943 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.206706 180.5
[M+Na]+ 349.188648 183.5
[M-H]- 325.192154 184.6
[M+NH4]+ 344.233253 190.1
[M+K]+ 365.162588 178.5
[M+H-H2O]+ 309.196690 169.4
[M+HCOO]- 371.197631 194.9
[M+CH3COO]- 385.213281 206.9
[M+Na-2H]- 347.174096 181.8
[M]+ 326.19888142 176.6
[M]- 326.19997858 176.6
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

patents stripe