CID 49054

P-phenoxybenzoic acid 3-(2,6-dimethylpiperidino)propyl ester hydrochloride

Structural Information

Molecular Formula
C23H29NO3
SMILES
CC1CCCC(N1CCCOC(=O)C2=CC=C(C=C2)OC3=CC=CC=C3)C
InChI
InChI=1S/C23H29NO3/c1-18-8-6-9-19(2)24(18)16-7-17-26-23(25)20-12-14-22(15-13-20)27-21-10-4-3-5-11-21/h3-5,10-15,18-19H,6-9,16-17H2,1-2H3
InChIKey
BWKRNFAACCSMDS-UHFFFAOYSA-N
Compound name
3-(2,6-dimethylpiperidin-1-yl)propyl 4-phenoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.21475 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.22203 192.2
[M+Na]+ 390.20397 205.7
[M+NH4]+ 385.24857 199.5
[M+K]+ 406.17791 197.1
[M-H]- 366.20747 197.7
[M+Na-2H]- 388.18942 200.1
[M]+ 367.21420 195.7
[M]- 367.21530 195.7
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.