CID 3050095

Brn 5147242

Structural Information

Molecular Formula
C20H20Cl2N2O3
SMILES
CC(C)C(=O)NCC(=O)N(C)C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2Cl
InChI
InChI=1S/C20H20Cl2N2O3/c1-12(2)20(27)23-11-18(25)24(3)17-9-8-13(21)10-15(17)19(26)14-6-4-5-7-16(14)22/h4-10,12H,11H2,1-3H3,(H,23,27)
InChIKey
VIWYNSCAENMAKI-UHFFFAOYSA-N
Compound name
N-[2-[4-chloro-2-(2-chlorobenzoyl)-N-methylanilino]-2-oxoethyl]-2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

406.08508 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.09236 192.3
[M+Na]+ 429.07430 198.4
[M-H]- 405.07780 199.6
[M+NH4]+ 424.11890 204.4
[M+K]+ 445.04824 193.8
[M+H-H2O]+ 389.08234 185.7
[M+HCOO]- 451.08328 205.2
[M+CH3COO]- 465.09893 230.2
[M+Na-2H]- 427.05975 189.6
[M]+ 406.08453 198.3
[M]- 406.08563 198.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.