CID 42124

Sgd 83-74

Structural Information

Molecular Formula
C21H24ClNO3
SMILES
CN1CCC(CC1)OC(=O)COC2=CC=C(C=C2)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C21H24ClNO3/c1-23-12-10-20(11-13-23)26-21(24)15-25-19-8-4-17(5-9-19)14-16-2-6-18(22)7-3-16/h2-9,20H,10-15H2,1H3
InChIKey
VPSGUYXXEQVJIM-UHFFFAOYSA-N
Compound name
(1-methylpiperidin-4-yl) 2-[4-[(4-chlorophenyl)methyl]phenoxy]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.14447 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.15175 188.9
[M+Na]+ 396.13369 193.9
[M-H]- 372.13719 195.8
[M+NH4]+ 391.17829 199.8
[M+K]+ 412.10763 188.3
[M+H-H2O]+ 356.14173 178.8
[M+HCOO]- 418.14267 201.7
[M+CH3COO]- 432.15832 215.0
[M+Na-2H]- 394.11914 188.8
[M]+ 373.14392 190.1
[M]- 373.14502 190.1
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.