CID 28804

17837-64-8

Structural Information

Molecular Formula
C20H30N2O4
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)C3CCCCC3
InChI
InChI=1S/C20H30N2O4/c1-24-17-13-15(14-18(25-2)19(17)26-3)20(23)22-11-9-21(10-12-22)16-7-5-4-6-8-16/h13-14,16H,4-12H2,1-3H3
InChIKey
NHDRMMURFMGQIN-UHFFFAOYSA-N
Compound name
(4-cyclohexylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

362.22055 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.227826 189.5
[M+Na]+ 385.209768 191.7
[M-H]- 361.213274 194.6
[M+NH4]+ 380.254373 198.5
[M+K]+ 401.183708 189.1
[M+H-H2O]+ 345.217810 178.3
[M+HCOO]- 407.218751 201.6
[M+CH3COO]- 421.234401 215.8
[M+Na-2H]- 383.195216 186.9
[M]+ 362.22000142 186.1
[M]- 362.22109858 186.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.