CID 48084

2-cyclohexyl-2-phenylacetic acid (2-morpholinoethyl) ester hydrochloride

Structural Information

Molecular Formula
C20H29NO3
SMILES
C1CCC(CC1)C(C2=CC=CC=C2)C(=O)OCCN3CCOCC3
InChI
InChI=1S/C20H29NO3/c22-20(24-16-13-21-11-14-23-15-12-21)19(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1,3-4,7-8,18-19H,2,5-6,9-16H2
InChIKey
LTQNGVKSCYZOJZ-UHFFFAOYSA-N
Compound name
2-morpholin-4-ylethyl 2-cyclohexyl-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.21475 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.22203 182.1
[M+Na]+ 354.20397 180.6
[M-H]- 330.20747 187.7
[M+NH4]+ 349.24857 191.2
[M+K]+ 370.17791 178.9
[M+H-H2O]+ 314.21201 171.3
[M+HCOO]- 376.21295 193.5
[M+CH3COO]- 390.22860 207.1
[M+Na-2H]- 352.18942 181.6
[M]+ 331.21420 175.1
[M]- 331.21530 175.1
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.