CID 48082

2-cyclohexyl-2-phenylacetic acid (2,2-dimethyl-3-morpholinopropyl) ester hydrochloride

Structural Information

Molecular Formula
C23H35NO3
SMILES
CC(C)(CN1CCOCC1)COC(=O)C(C2CCCCC2)C3=CC=CC=C3
InChI
InChI=1S/C23H35NO3/c1-23(2,17-24-13-15-26-16-14-24)18-27-22(25)21(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3,5-6,9-10,20-21H,4,7-8,11-18H2,1-2H3
InChIKey
IQJJJMCKXQKLKR-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-3-morpholin-4-ylpropyl) 2-cyclohexyl-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.2617 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.26898 193.8
[M+Na]+ 396.25092 191.5
[M-H]- 372.25442 199.2
[M+NH4]+ 391.29552 201.3
[M+K]+ 412.22486 189.7
[M+H-H2O]+ 356.25896 183.4
[M+HCOO]- 418.25990 202.7
[M+CH3COO]- 432.27555 216.4
[M+Na-2H]- 394.23637 192.9
[M]+ 373.26115 187.5
[M]- 373.26225 187.5
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.