CID 3042188

Brn 5162160

Structural Information

Molecular Formula
C22H25Cl2N3O3
SMILES
CCN(CC)CC(=O)NC(=O)CN(C)C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2Cl
InChI
InChI=1S/C22H25Cl2N3O3/c1-4-27(5-2)14-21(29)25-20(28)13-26(3)19-11-10-15(23)12-17(19)22(30)16-8-6-7-9-18(16)24/h6-12H,4-5,13-14H2,1-3H3,(H,25,28,29)
InChIKey
ALMPDHNJPCFJOP-UHFFFAOYSA-N
Compound name
2-[4-chloro-2-(2-chlorobenzoyl)-N-methylanilino]-N-[2-(diethylamino)acetyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.1273 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.13458 207.3
[M+Na]+ 472.11652 212.0
[M-H]- 448.12002 215.5
[M+NH4]+ 467.16112 218.0
[M+K]+ 488.09046 208.0
[M+H-H2O]+ 432.12456 199.5
[M+HCOO]- 494.12550 222.0
[M+CH3COO]- 508.14115 243.2
[M+Na-2H]- 470.10197 204.3
[M]+ 449.12675 215.2
[M]- 449.12785 215.2
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.