CID 49085

4-ethoxybenzoic acid 3-(diethylamino)propyl ester

Structural Information

Molecular Formula
C16H25NO3
SMILES
CCN(CC)CCCOC(=O)C1=CC=C(C=C1)OCC
InChI
InChI=1S/C16H25NO3/c1-4-17(5-2)12-7-13-20-16(18)14-8-10-15(11-9-14)19-6-3/h8-11H,4-7,12-13H2,1-3H3
InChIKey
PERHZJYCAWAXHS-UHFFFAOYSA-N
Compound name
3-(diethylamino)propyl 4-ethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.18344 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.19072 168.0
[M+Na]+ 302.17266 178.1
[M+NH4]+ 297.21726 174.7
[M+K]+ 318.14660 171.8
[M-H]- 278.17616 169.8
[M+Na-2H]- 300.15811 172.8
[M]+ 279.18289 169.7
[M]- 279.18399 169.7
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.