CID 18559

Alpha-(1-naphthylmethyl)tetrahydro-2-furanpropionic acid 2-morpholinoethyl ester oxalate

Structural Information

Molecular Formula
C24H31NO4
SMILES
C1CC(OC1)CC(CC2=CC=CC3=CC=CC=C32)C(=O)OCCN4CCOCC4
InChI
InChI=1S/C24H31NO4/c26-24(29-16-12-25-10-14-27-15-11-25)21(18-22-8-4-13-28-22)17-20-7-3-6-19-5-1-2-9-23(19)20/h1-3,5-7,9,21-22H,4,8,10-18H2
InChIKey
NLZZMCWLGNTEPD-UHFFFAOYSA-N
Compound name
2-morpholin-4-ylethyl 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.2253 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.23258 197.7
[M+Na]+ 420.21452 197.7
[M-H]- 396.21802 205.3
[M+NH4]+ 415.25912 205.7
[M+K]+ 436.18846 196.0
[M+H-H2O]+ 380.22256 187.5
[M+HCOO]- 442.22350 208.9
[M+CH3COO]- 456.23915 204.5
[M+Na-2H]- 418.19997 196.0
[M]+ 397.22475 195.3
[M]- 397.22585 195.3
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.