CID 56379

92302-24-4

Structural Information

Molecular Formula
C14H20INO3
SMILES
CCN(CC)CCOC(=O)COC1=CC=C(C=C1)I
InChI
InChI=1S/C14H20INO3/c1-3-16(4-2)9-10-18-14(17)11-19-13-7-5-12(15)6-8-13/h5-8H,3-4,9-11H2,1-2H3
InChIKey
BEWSYPLGFVZSRN-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-(4-iodophenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.0488 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.05608 178.7
[M+Na]+ 400.03802 176.7
[M-H]- 376.04152 175.8
[M+NH4]+ 395.08262 190.4
[M+K]+ 416.01196 181.8
[M+H-H2O]+ 360.04606 167.3
[M+HCOO]- 422.04700 197.2
[M+CH3COO]- 436.06265 211.2
[M+Na-2H]- 398.02347 168.6
[M]+ 377.04825 181.2
[M]- 377.04935 181.2
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.