CID 45264

63917-13-5

Structural Information

Molecular Formula
C21H31NO3
SMILES
CCN1CCCC(C1)OC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O
InChI
InChI=1S/C21H31NO3/c1-2-22-15-9-14-19(16-22)25-20(23)21(24,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3,5-6,10-11,18-19,24H,2,4,7-9,12-16H2,1H3
InChIKey
PPNCDMBYKKWNCV-UHFFFAOYSA-N
Compound name
(1-ethylpiperidin-3-yl) 2-cyclohexyl-2-hydroxy-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.2304 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.23768 185.7
[M+Na]+ 368.21962 184.9
[M-H]- 344.22312 189.8
[M+NH4]+ 363.26422 195.4
[M+K]+ 384.19356 181.2
[M+H-H2O]+ 328.22766 175.9
[M+HCOO]- 390.22860 195.6
[M+CH3COO]- 404.24425 208.3
[M+Na-2H]- 366.20507 185.2
[M]+ 345.22985 177.3
[M]- 345.23095 177.3
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.