CID 214041

27588-45-0

Structural Information

Molecular Formula
C26H38N2O2
SMILES
CCCCC1=CC=C(C=C1)C(CCN2CCN(CC2)CC(C3=CC=CC=C3)OC)O
InChI
InChI=1S/C26H38N2O2/c1-3-4-8-22-11-13-23(14-12-22)25(29)15-16-27-17-19-28(20-18-27)21-26(30-2)24-9-6-5-7-10-24/h5-7,9-14,25-26,29H,3-4,8,15-21H2,1-2H3
InChIKey
VSDGVEOHJLFDGE-UHFFFAOYSA-N
Compound name
1-(4-butylphenyl)-3-[4-(2-methoxy-2-phenylethyl)piperazin-1-yl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.29333 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.30061 206.4
[M+Na]+ 433.28255 206.2
[M-H]- 409.28605 209.2
[M+NH4]+ 428.32715 212.2
[M+K]+ 449.25649 200.5
[M+H-H2O]+ 393.29059 194.2
[M+HCOO]- 455.29153 217.6
[M+CH3COO]- 469.30718 225.3
[M+Na-2H]- 431.26800 203.3
[M]+ 410.29278 203.8
[M]- 410.29388 203.8
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.