CID 3088782

Brn 5618649

Structural Information

Molecular Formula
C21H28N2O3
SMILES
COC1=CC=C(C=C1)N2CCN(CC2)CCCOC3=CC=C(C=C3)CO
InChI
InChI=1S/C21H28N2O3/c1-25-20-9-5-19(6-10-20)23-14-12-22(13-15-23)11-2-16-26-21-7-3-18(17-24)4-8-21/h3-10,24H,2,11-17H2,1H3
InChIKey
JPPDBAUBEJZSDU-UHFFFAOYSA-N
Compound name
[4-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.21 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.217276 188.2
[M+Na]+ 379.199218 191.8
[M-H]- 355.202724 192.4
[M+NH4]+ 374.243823 196.8
[M+K]+ 395.173158 186.7
[M+H-H2O]+ 339.207260 176.7
[M+HCOO]- 401.208201 203.4
[M+CH3COO]- 415.223851 212.3
[M+Na-2H]- 377.184666 189.4
[M]+ 356.20945142 187.1
[M]- 356.21054858 187.1
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.