CID 230115

Cyclohexanecarboxylic acid, 1-phenyl-, (6-morpholinohexyl) ester, hydrochloride

Structural Information

Molecular Formula
C23H35NO3
SMILES
C1CCC(CC1)(C2=CC=CC=C2)C(=O)OCCCCCCN3CCOCC3
InChI
InChI=1S/C23H35NO3/c25-22(23(13-7-4-8-14-23)21-11-5-3-6-12-21)27-18-10-2-1-9-15-24-16-19-26-20-17-24/h3,5-6,11-12H,1-2,4,7-10,13-20H2
InChIKey
UNRIQAWPIQWRBT-UHFFFAOYSA-N
Compound name
6-morpholin-4-ylhexyl 1-phenylcyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.2617 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.26898 195.9
[M+Na]+ 396.25092 194.4
[M-H]- 372.25442 201.2
[M+NH4]+ 391.29552 205.4
[M+K]+ 412.22486 191.9
[M+H-H2O]+ 356.25896 184.7
[M+HCOO]- 418.25990 207.3
[M+CH3COO]- 432.27555 214.6
[M+Na-2H]- 394.23637 195.8
[M]+ 373.26115 190.7
[M]- 373.26225 190.7
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.