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 200.5
[M+Na]+ 476.07504 203.2
[M-H]- 452.07854 207.5
[M+NH4]+ 471.11964 206.3
[M+K]+ 492.04898 200.1
[M+H-H2O]+ 436.08308 190.9
[M+HCOO]- 498.08402 208.6
[M+CH3COO]- 512.09967 229.4
[M+Na-2H]- 474.06049 201.2
[M]+ 453.08527 203.1
[M]- 453.08637 203.1
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