CID 214037

27588-42-7

Structural Information

Molecular Formula
C25H36N2O5
SMILES
COC1=CC(=CC(=C1OC)OC)C(CCN2CCN(CC2)CC(C3=CC=CC=C3)OC)O
InChI
InChI=1S/C25H36N2O5/c1-29-22-16-20(17-23(30-2)25(22)32-4)21(28)10-11-26-12-14-27(15-13-26)18-24(31-3)19-8-6-5-7-9-19/h5-9,16-17,21,24,28H,10-15,18H2,1-4H3
InChIKey
JJKYCUSUSZBEME-UHFFFAOYSA-N
Compound name
3-[4-(2-methoxy-2-phenylethyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.26242 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.26970 210.5
[M+Na]+ 467.25164 212.1
[M-H]- 443.25514 214.4
[M+NH4]+ 462.29624 215.3
[M+K]+ 483.22558 209.0
[M+H-H2O]+ 427.25968 198.4
[M+HCOO]- 489.26062 222.6
[M+CH3COO]- 503.27627 231.2
[M+Na-2H]- 465.23709 207.0
[M]+ 444.26187 212.8
[M]- 444.26297 212.8
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.