CID 3042191

Brn 5152937

Structural Information

Molecular Formula
C19H19Cl2N3O3
SMILES
CNCC(=O)NC(=O)CN(C)C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2Cl
InChI
InChI=1S/C19H19Cl2N3O3/c1-22-10-17(25)23-18(26)11-24(2)16-8-7-12(20)9-14(16)19(27)13-5-3-4-6-15(13)21/h3-9,22H,10-11H2,1-2H3,(H,23,25,26)
InChIKey
HIXUROHRCYAIJI-UHFFFAOYSA-N
Compound name
N-[2-[4-chloro-2-(2-chlorobenzoyl)-N-methylanilino]acetyl]-2-(methylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.08035 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.08763 194.2
[M+Na]+ 430.06957 200.0
[M-H]- 406.07307 201.5
[M+NH4]+ 425.11417 205.9
[M+K]+ 446.04351 195.2
[M+H-H2O]+ 390.07761 187.1
[M+HCOO]- 452.07855 209.3
[M+CH3COO]- 466.09420 231.5
[M+Na-2H]- 428.05502 193.3
[M]+ 407.07980 199.6
[M]- 407.08090 199.6
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.