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 191.8
[M+Na]+ 390.20397 195.0
[M-H]- 366.20747 198.6
[M+NH4]+ 385.24857 202.0
[M+K]+ 406.17791 190.6
[M+H-H2O]+ 350.21201 180.8
[M+HCOO]- 412.21295 208.4
[M+CH3COO]- 426.22860 217.4
[M+Na-2H]- 388.18942 191.1
[M]+ 367.21420 191.3
[M]- 367.21530 191.3
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.