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]+ 398.232576 197.7
[M+Na]+ 420.214518 197.7
[M-H]- 396.218024 205.3
[M+NH4]+ 415.259123 205.7
[M+K]+ 436.188458 196.0
[M+H-H2O]+ 380.222560 187.5
[M+HCOO]- 442.223501 208.9
[M+CH3COO]- 456.239151 204.5
[M+Na-2H]- 418.199966 196.0
[M]+ 397.22475142 195.3
[M]- 397.22584858 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.