CID 60422

110331-08-3

Structural Information

Molecular Formula
C20H27NO3
SMILES
CCN(CC)CCCOC(=O)C1=CC2=CC=CC=C2C=C1OCC
InChI
InChI=1S/C20H27NO3/c1-4-21(5-2)12-9-13-24-20(22)18-14-16-10-7-8-11-17(16)15-19(18)23-6-3/h7-8,10-11,14-15H,4-6,9,12-13H2,1-3H3
InChIKey
PGLAINMCFOIZLF-UHFFFAOYSA-N
Compound name
3-(diethylamino)propyl 3-ethoxynaphthalene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.1991 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.20638 181.8
[M+Na]+ 352.18832 186.7
[M-H]- 328.19182 186.6
[M+NH4]+ 347.23292 197.2
[M+K]+ 368.16226 184.4
[M+H-H2O]+ 312.19636 173.4
[M+HCOO]- 374.19730 203.8
[M+CH3COO]- 388.21295 217.8
[M+Na-2H]- 350.17377 184.2
[M]+ 329.19855 188.4
[M]- 329.19965 188.4
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.