CID 64858

23851-98-1

Structural Information

Molecular Formula
C23H30N2O6
SMILES
COC1=CC=CC=C1N2CCN(CC2)C(=O)CC(C3=CC(=C(C(=C3)OC)OC)OC)O
InChI
InChI=1S/C23H30N2O6/c1-28-19-8-6-5-7-17(19)24-9-11-25(12-10-24)22(27)15-18(26)16-13-20(29-2)23(31-4)21(14-16)30-3/h5-8,13-14,18,26H,9-12,15H2,1-4H3
InChIKey
MGSCYZBVQKOOPB-UHFFFAOYSA-N
Compound name
3-hydroxy-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.2104 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.21768 203.5
[M+Na]+ 453.19962 207.0
[M-H]- 429.20312 208.4
[M+NH4]+ 448.24422 209.1
[M+K]+ 469.17356 204.7
[M+H-H2O]+ 413.20766 192.0
[M+HCOO]- 475.20860 216.7
[M+CH3COO]- 489.22425 227.7
[M+Na-2H]- 451.18507 200.6
[M]+ 430.20985 206.3
[M]- 430.21095 206.3
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.