CID 199612

4553-78-0

Structural Information

Molecular Formula
C23H29NO4
SMILES
CCC(CCN1CCOCC1)(C2=CC=CC=C2)OC(=O)COC3=CC=CC=C3
InChI
InChI=1S/C23H29NO4/c1-2-23(20-9-5-3-6-10-20,13-14-24-15-17-26-18-16-24)28-22(25)19-27-21-11-7-4-8-12-21/h3-12H,2,13-19H2,1H3
InChIKey
UXMGWLKATQFGGE-UHFFFAOYSA-N
Compound name
(1-morpholin-4-yl-3-phenylpentan-3-yl) 2-phenoxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.20966 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.21694 194.1
[M+Na]+ 406.19888 195.0
[M-H]- 382.20238 200.6
[M+NH4]+ 401.24348 201.4
[M+K]+ 422.17282 192.7
[M+H-H2O]+ 366.20692 183.0
[M+HCOO]- 428.20786 208.4
[M+CH3COO]- 442.22351 216.5
[M+Na-2H]- 404.18433 197.3
[M]+ 383.20911 193.9
[M]- 383.21021 193.9
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.