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]+ 366.20638 193.0
[M+Na]+ 388.18832 197.5
[M-H]- 364.19182 201.8
[M+NH4]+ 383.23292 206.6
[M+K]+ 404.16226 195.4
[M+H-H2O]+ 348.19636 184.0
[M+HCOO]- 410.19730 215.5
[M+CH3COO]- 424.21295 221.8
[M+Na-2H]- 386.17377 194.6
[M]+ 365.19855 199.6
[M]- 365.19965 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.