CID 28073

16785-29-8

Structural Information

Molecular Formula
C24H34N2O5
SMILES
COC1=CC=CC=C1N2CCN(CC2)CCCC(C3=CC(=C(C(=C3)OC)OC)OC)O
InChI
InChI=1S/C24H34N2O5/c1-28-21-10-6-5-8-19(21)26-14-12-25(13-15-26)11-7-9-20(27)18-16-22(29-2)24(31-4)23(17-18)30-3/h5-6,8,10,16-17,20,27H,7,9,11-15H2,1-4H3
InChIKey
PQDIYNVTCGQBES-UHFFFAOYSA-N
Compound name
4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.24677 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.25405 207.0
[M+Na]+ 453.23599 210.3
[M-H]- 429.23949 211.5
[M+NH4]+ 448.28059 212.8
[M+K]+ 469.20993 206.9
[M+H-H2O]+ 413.24403 195.1
[M+HCOO]- 475.24497 220.5
[M+CH3COO]- 489.26062 228.7
[M+Na-2H]- 451.22144 204.4
[M]+ 430.24622 210.0
[M]- 430.24732 210.0
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.