CID 3066992

Pm 198

Structural Information

Molecular Formula
C21H23Cl2NO6
SMILES
CN(CCOC(=O)COC1=CC=C(C=C1)Cl)CCOC(=O)COC2=CC=C(C=C2)Cl
InChI
InChI=1S/C21H23Cl2NO6/c1-24(10-12-27-20(25)14-29-18-6-2-16(22)3-7-18)11-13-28-21(26)15-30-19-8-4-17(23)5-9-19/h2-9H,10-15H2,1H3
InChIKey
HDUDZFLVSQPZMQ-UHFFFAOYSA-N
Compound name
2-[2-[2-(4-chlorophenoxy)acetyl]oxyethyl-methylamino]ethyl 2-(4-chlorophenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

455.09024 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.09752 201.1
[M+Na]+ 478.07946 213.0
[M+NH4]+ 473.12406 206.3
[M+K]+ 494.05340 206.1
[M-H]- 454.08296 203.5
[M+Na-2H]- 476.06491 206.9
[M]+ 455.08969 203.8
[M]- 455.09079 203.8
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.