CID 64907

58493-22-4

Structural Information

Molecular Formula
C23H35N3O5
SMILES
COC1=CC(=CC(=C1O)OC)CCC(=O)N2CCN(CC2)CC(=O)N3CCCCCC3
InChI
InChI=1S/C23H35N3O5/c1-30-19-15-18(16-20(31-2)23(19)29)7-8-21(27)26-13-11-24(12-14-26)17-22(28)25-9-5-3-4-6-10-25/h15-16,29H,3-14,17H2,1-2H3
InChIKey
XGZPYVPQYCCPHI-UHFFFAOYSA-N
Compound name
1-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-3-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.25766 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.26494 203.9
[M+Na]+ 456.24688 203.5
[M-H]- 432.25038 207.2
[M+NH4]+ 451.29148 207.4
[M+K]+ 472.22082 205.3
[M+H-H2O]+ 416.25492 191.7
[M+HCOO]- 478.25586 211.7
[M+CH3COO]- 492.27151 225.8
[M+Na-2H]- 454.23233 198.8
[M]+ 433.25711 197.6
[M]- 433.25821 197.6
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.