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 189.5
[M+Na]+ 385.20977 191.7
[M-H]- 361.21327 194.6
[M+NH4]+ 380.25437 198.5
[M+K]+ 401.18371 189.1
[M+H-H2O]+ 345.21781 178.3
[M+HCOO]- 407.21875 201.6
[M+CH3COO]- 421.23440 215.8
[M+Na-2H]- 383.19522 186.9
[M]+ 362.22000 186.1
[M]- 362.22110 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.