CID 18586

3216-74-8

Structural Information

Molecular Formula
C23H27NO3
SMILES
CCN(CC)CCOC(=O)C(CC1=CC=CO1)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C23H27NO3/c1-3-24(4-2)14-16-27-23(25)22(17-19-11-8-15-26-19)21-13-7-10-18-9-5-6-12-20(18)21/h5-13,15,22H,3-4,14,16-17H2,1-2H3
InChIKey
QNHULNOOWAGJSS-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 3-(furan-2-yl)-2-naphthalen-1-ylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.1991 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.206376 193.0
[M+Na]+ 388.188318 197.5
[M-H]- 364.191824 201.8
[M+NH4]+ 383.232923 206.6
[M+K]+ 404.162258 195.4
[M+H-H2O]+ 348.196360 184.0
[M+HCOO]- 410.197301 215.5
[M+CH3COO]- 424.212951 221.8
[M+Na-2H]- 386.173766 194.6
[M]+ 365.19855142 199.6
[M]- 365.19964858 199.6
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.