CID 18557

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

Structural Information

Molecular Formula
C24H31NO3
SMILES
C1CCN(C1)CCOC(=O)C(CC2CCCO2)CC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C24H31NO3/c26-24(28-16-14-25-12-3-4-13-25)21(18-22-10-6-15-27-22)17-20-9-5-8-19-7-1-2-11-23(19)20/h1-2,5,7-9,11,21-22H,3-4,6,10,12-18H2
InChIKey
URBRPMFXJJHNRS-UHFFFAOYSA-N
Compound name
2-pyrrolidin-1-ylethyl 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.2304 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.237676 195.7
[M+Na]+ 404.219618 196.5
[M-H]- 380.223124 203.5
[M+NH4]+ 399.264223 207.9
[M+K]+ 420.193558 193.4
[M+H-H2O]+ 364.227660 186.7
[M+HCOO]- 426.228601 210.0
[M+CH3COO]- 440.244251 203.4
[M+Na-2H]- 402.205066 191.5
[M]+ 381.22985142 193.8
[M]- 381.23094858 193.8
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.