CID 3051274

Brn 1442593

Structural Information

Molecular Formula
C26H35NO5
SMILES
CC(CC1CCCN(C1)CCC2=CC=CC=C2)OC(=O)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C26H35NO5/c1-19(32-26(28)22-16-23(29-2)25(31-4)24(17-22)30-3)15-21-11-8-13-27(18-21)14-12-20-9-6-5-7-10-20/h5-7,9-10,16-17,19,21H,8,11-15,18H2,1-4H3
InChIKey
FHBWBSWLKAOTBM-UHFFFAOYSA-N
Compound name
1-[1-(2-phenylethyl)piperidin-3-yl]propan-2-yl 3,4,5-trimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.25153 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.25881 210.1
[M+Na]+ 464.24075 212.2
[M-H]- 440.24425 216.7
[M+NH4]+ 459.28535 217.2
[M+K]+ 480.21469 209.4
[M+H-H2O]+ 424.24879 198.6
[M+HCOO]- 486.24973 225.0
[M+CH3COO]- 500.26538 232.4
[M+Na-2H]- 462.22620 206.3
[M]+ 441.25098 213.3
[M]- 441.25208 213.3
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.