CID 3043429

55470-07-0

Structural Information

Molecular Formula
C20H24Cl2N2O2
SMILES
CCN(CC)CCOC(=O)C1=CC=CC=C1NC2=C(C=CC(=C2Cl)C)Cl
InChI
InChI=1S/C20H24Cl2N2O2/c1-4-24(5-2)12-13-26-20(25)15-8-6-7-9-17(15)23-19-16(21)11-10-14(3)18(19)22/h6-11,23H,4-5,12-13H2,1-3H3
InChIKey
PLUTVIOAWOUWNM-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-(2,6-dichloro-3-methylanilino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

394.1215 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.12878 193.8
[M+Na]+ 417.11072 207.7
[M+NH4]+ 412.15532 201.4
[M+K]+ 433.08466 198.6
[M-H]- 393.11422 198.9
[M+Na-2H]- 415.09617 201.0
[M]+ 394.12095 197.9
[M]- 394.12205 197.9
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

patents stripe