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]+ 357.21728 188.2
[M+Na]+ 379.19922 191.8
[M-H]- 355.20272 192.4
[M+NH4]+ 374.24382 196.8
[M+K]+ 395.17316 186.7
[M+H-H2O]+ 339.20726 176.7
[M+HCOO]- 401.20820 203.4
[M+CH3COO]- 415.22385 212.3
[M+Na-2H]- 377.18467 189.4
[M]+ 356.20945 187.1
[M]- 356.21055 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.