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 173.6
[M+Na]+ 316.18832 177.7
[M-H]- 292.19182 177.5
[M+NH4]+ 311.23292 189.4
[M+K]+ 332.16226 176.7
[M+H-H2O]+ 276.19636 165.6
[M+HCOO]- 338.19730 196.9
[M+CH3COO]- 352.21295 210.2
[M+Na-2H]- 314.17377 175.0
[M]+ 293.19855 180.2
[M]- 293.19965 180.2
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.