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]+ 431.254046 207.0
[M+Na]+ 453.235988 210.3
[M-H]- 429.239494 211.5
[M+NH4]+ 448.280593 212.8
[M+K]+ 469.209928 206.9
[M+H-H2O]+ 413.244030 195.1
[M+HCOO]- 475.244971 220.5
[M+CH3COO]- 489.260621 228.7
[M+Na-2H]- 451.221436 204.4
[M]+ 430.24622142 210.0
[M]- 430.24731858 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.