CID 3054153

Ita 373

Structural Information

Molecular Formula
C20H21Cl2N3O5
SMILES
C1COCCN1CNC(=O)NC(=O)C(OC2=CC=C(C=C2)Cl)OC3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H21Cl2N3O5/c21-14-1-5-16(6-2-14)29-19(30-17-7-3-15(22)4-8-17)18(26)24-20(27)23-13-25-9-11-28-12-10-25/h1-8,19H,9-13H2,(H2,23,24,26,27)
InChIKey
QPDIJVCPPSYEGU-UHFFFAOYSA-N
Compound name
2,2-bis(4-chlorophenoxy)-N-(morpholin-4-ylmethylcarbamoyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

453.08582 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.09310 201.7
[M+Na]+ 476.07504 212.8
[M+NH4]+ 471.11964 206.8
[M+K]+ 492.04898 206.9
[M-H]- 452.07854 207.0
[M+Na-2H]- 474.06049 207.7
[M]+ 453.08527 205.0
[M]- 453.08637 205.0
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