CID 3042190

Brn 5155097

Structural Information

Molecular Formula
C20H21Cl2N3O3
SMILES
CN(C)CC(=O)NC(=O)CN(C)C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2Cl
InChI
InChI=1S/C20H21Cl2N3O3/c1-24(2)11-18(26)23-19(27)12-25(3)17-9-8-13(21)10-15(17)20(28)14-6-4-5-7-16(14)22/h4-10H,11-12H2,1-3H3,(H,23,26,27)
InChIKey
ZQKDQVFOCJYKNA-UHFFFAOYSA-N
Compound name
N-[2-[4-chloro-2-(2-chlorobenzoyl)-N-methylanilino]acetyl]-2-(dimethylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.096 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.10328 198.2
[M+Na]+ 444.08522 203.8
[M-H]- 420.08872 206.8
[M+NH4]+ 439.12982 210.0
[M+K]+ 460.05916 200.1
[M+H-H2O]+ 404.09326 190.8
[M+HCOO]- 466.09420 213.5
[M+CH3COO]- 480.10985 237.5
[M+Na-2H]- 442.07067 196.2
[M]+ 421.09545 205.4
[M]- 421.09655 205.4
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.