CID 64897

58493-17-7

Structural Information

Molecular Formula
C18H27N3O5
SMILES
CNC(=O)CN1CCN(CC1)C(=O)CCC2=CC(=C(C(=C2)OC)O)OC
InChI
InChI=1S/C18H27N3O5/c1-19-16(22)12-20-6-8-21(9-7-20)17(23)5-4-13-10-14(25-2)18(24)15(11-13)26-3/h10-11,24H,4-9,12H2,1-3H3,(H,19,22)
InChIKey
ONPYQJLLNYFPNM-UHFFFAOYSA-N
Compound name
2-[4-[3-(4-hydroxy-3,5-dimethoxyphenyl)propanoyl]piperazin-1-yl]-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.19507 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.20235 187.5
[M+Na]+ 388.18429 191.1
[M-H]- 364.18779 189.3
[M+NH4]+ 383.22889 196.0
[M+K]+ 404.15823 188.8
[M+H-H2O]+ 348.19233 177.8
[M+HCOO]- 410.19327 202.4
[M+CH3COO]- 424.20892 217.4
[M+Na-2H]- 386.16974 185.8
[M]+ 365.19452 188.1
[M]- 365.19562 188.1
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.