CID 21935

4-ethoxy-3-fluorobenzoic acid 3-(diethylamino)propyl ester hydrochloride

Structural Information

Molecular Formula
C16H24FNO3
SMILES
CCN(CC)CCCOC(=O)C1=CC(=C(C=C1)OCC)F
InChI
InChI=1S/C16H24FNO3/c1-4-18(5-2)10-7-11-21-16(19)13-8-9-15(20-6-3)14(17)12-13/h8-9,12H,4-7,10-11H2,1-3H3
InChIKey
CCHIZBCMNNWBDF-UHFFFAOYSA-N
Compound name
3-(diethylamino)propyl 4-ethoxy-3-fluorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.174 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.18128 171.2
[M+Na]+ 320.16322 176.7
[M-H]- 296.16672 174.3
[M+NH4]+ 315.20782 187.1
[M+K]+ 336.13716 175.5
[M+H-H2O]+ 280.17126 162.6
[M+HCOO]- 342.17220 193.7
[M+CH3COO]- 356.18785 211.1
[M+Na-2H]- 318.14867 171.9
[M]+ 297.17345 176.7
[M]- 297.17455 176.7
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.