CID 1929638

Ethyl 4-{[4-(2,4-dichlorophenoxy)butanoyl]amino}benzoate

Structural Information

Molecular Formula
C19H19Cl2NO4
SMILES
CCOC(=O)C1=CC=C(C=C1)NC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C19H19Cl2NO4/c1-2-25-19(24)13-5-8-15(9-6-13)22-18(23)4-3-11-26-17-10-7-14(20)12-16(17)21/h5-10,12H,2-4,11H2,1H3,(H,22,23)
InChIKey
DIYDSLQOEMRIJY-UHFFFAOYSA-N
Compound name
ethyl 4-[4-(2,4-dichlorophenoxy)butanoylamino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.06912 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.07640 188.2
[M+Na]+ 418.05834 195.6
[M-H]- 394.06184 194.1
[M+NH4]+ 413.10294 200.7
[M+K]+ 434.03228 189.9
[M+H-H2O]+ 378.06638 181.4
[M+HCOO]- 440.06732 201.7
[M+CH3COO]- 454.08297 220.0
[M+Na-2H]- 416.04379 188.6
[M]+ 395.06857 196.2
[M]- 395.06967 196.2
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.