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

78
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 194.1
[M+Na]+ 417.11072 201.3
[M-H]- 393.11422 201.2
[M+NH4]+ 412.15532 207.3
[M+K]+ 433.08466 195.5
[M+H-H2O]+ 377.11876 186.8
[M+HCOO]- 439.11970 209.0
[M+CH3COO]- 453.13535 228.8
[M+Na-2H]- 415.09617 193.6
[M]+ 394.12095 201.9
[M]- 394.12205 201.9
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