CID 15227

1532-12-3

Structural Information

Molecular Formula
C21H31NO5
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)OC2CCC(CC2)N3CCCCC3
InChI
InChI=1S/C21H31NO5/c1-24-18-13-15(14-19(25-2)20(18)26-3)21(23)27-17-9-7-16(8-10-17)22-11-5-4-6-12-22/h13-14,16-17H,4-12H2,1-3H3
InChIKey
UNYOEMGZKJSZNF-UHFFFAOYSA-N
Compound name
(4-piperidin-1-ylcyclohexyl) 3,4,5-trimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.2202 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.22748 191.7
[M+Na]+ 400.20942 193.3
[M-H]- 376.21292 198.0
[M+NH4]+ 395.25402 201.3
[M+K]+ 416.18336 191.5
[M+H-H2O]+ 360.21746 181.1
[M+HCOO]- 422.21840 205.0
[M+CH3COO]- 436.23405 218.2
[M+Na-2H]- 398.19487 188.7
[M]+ 377.21965 189.6
[M]- 377.22075 189.6
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.