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]+ 363.22783 189.4
[M+Na]+ 385.20977 200.3
[M+NH4]+ 380.25437 195.5
[M+K]+ 401.18371 194.1
[M-H]- 361.21327 193.1
[M+Na-2H]- 383.19522 194.3
[M]+ 362.22000 191.8
[M]- 362.22110 191.8
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.