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]+ 382.23768 195.7
[M+Na]+ 404.21962 196.5
[M-H]- 380.22312 203.5
[M+NH4]+ 399.26422 207.9
[M+K]+ 420.19356 193.4
[M+H-H2O]+ 364.22766 186.7
[M+HCOO]- 426.22860 210.0
[M+CH3COO]- 440.24425 203.4
[M+Na-2H]- 402.20507 191.5
[M]+ 381.22985 193.8
[M]- 381.23095 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.