CID 3054635

Brn 1504603

Structural Information

Molecular Formula
C22H26ClNO3
SMILES
CC(C(=O)OC1CCN(CC1)C)OC2=CC=C(C=C2)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C22H26ClNO3/c1-16(22(25)27-21-11-13-24(2)14-12-21)26-20-9-5-18(6-10-20)15-17-3-7-19(23)8-4-17/h3-10,16,21H,11-15H2,1-2H3
InChIKey
XIFZZVKOOUYIAV-UHFFFAOYSA-N
Compound name
(1-methylpiperidin-4-yl) 2-[4-[(4-chlorophenyl)methyl]phenoxy]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.16013 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.16741 192.6
[M+Na]+ 410.14935 196.9
[M-H]- 386.15285 199.5
[M+NH4]+ 405.19395 202.9
[M+K]+ 426.12329 191.7
[M+H-H2O]+ 370.15739 182.6
[M+HCOO]- 432.15833 204.1
[M+CH3COO]- 446.17398 218.8
[M+Na-2H]- 408.13480 191.0
[M]+ 387.15958 193.7
[M]- 387.16068 193.7
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.