CID 18563

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

Structural Information

Molecular Formula
C25H33NO3
SMILES
C1CCN(CC1)CCOC(=O)C(CC2CCCO2)CC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C25H33NO3/c27-25(29-17-15-26-13-4-1-5-14-26)22(19-23-11-7-16-28-23)18-21-10-6-9-20-8-2-3-12-24(20)21/h2-3,6,8-10,12,22-23H,1,4-5,7,11,13-19H2
InChIKey
YIIJSEKWSSISOD-UHFFFAOYSA-N
Compound name
2-piperidin-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

395.24603 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.25331 199.2
[M+Na]+ 418.23525 198.6
[M-H]- 394.23875 205.9
[M+NH4]+ 413.27985 208.6
[M+K]+ 434.20919 195.1
[M+H-H2O]+ 378.24329 188.6
[M+HCOO]- 440.24423 210.7
[M+CH3COO]- 454.25988 205.5
[M+Na-2H]- 416.22070 196.2
[M]+ 395.24548 195.0
[M]- 395.24658 195.0
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.