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 193.6
[M+Na]+ 430.06957 204.9
[M+NH4]+ 425.11417 199.4
[M+K]+ 446.04351 198.3
[M-H]- 406.07307 197.5
[M+Na-2H]- 428.05502 199.7
[M]+ 407.07980 196.6
[M]- 407.08090 196.6
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.