CID 54189

78329-98-3

Structural Information

Molecular Formula
C17H27NO3
SMILES
CCN(CC)CCCOCC1=CC=C(C=C1)C(=O)OCC
InChI
InChI=1S/C17H27NO3/c1-4-18(5-2)12-7-13-20-14-15-8-10-16(11-9-15)17(19)21-6-3/h8-11H,4-7,12-14H2,1-3H3
InChIKey
CDOVVMBHKJTQGY-UHFFFAOYSA-N
Compound name
ethyl 4-[3-(diethylamino)propoxymethyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.1991 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.20638 172.5
[M+Na]+ 316.18832 182.4
[M+NH4]+ 311.23292 179.0
[M+K]+ 332.16226 175.8
[M-H]- 292.19182 174.2
[M+Na-2H]- 314.17377 177.0
[M]+ 293.19855 174.2
[M]- 293.19965 174.2
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.