CID 3050096

Brn 5151528

Structural Information

Molecular Formula
C21H22Cl2N2O3
SMILES
CCCCC(=O)NCC(=O)N(C)C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2Cl
InChI
InChI=1S/C21H22Cl2N2O3/c1-3-4-9-19(26)24-13-20(27)25(2)18-11-10-14(22)12-16(18)21(28)15-7-5-6-8-17(15)23/h5-8,10-12H,3-4,9,13H2,1-2H3,(H,24,26)
InChIKey
DJTNAGBLFJZDBR-UHFFFAOYSA-N
Compound name
N-[2-[4-chloro-2-(2-chlorobenzoyl)-N-methylanilino]-2-oxoethyl]pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

420.10074 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.10802 198.0
[M+Na]+ 443.08996 203.9
[M-H]- 419.09346 205.1
[M+NH4]+ 438.13456 209.6
[M+K]+ 459.06390 198.5
[M+H-H2O]+ 403.09800 190.9
[M+HCOO]- 465.09894 211.5
[M+CH3COO]- 479.11459 232.1
[M+Na-2H]- 441.07541 195.8
[M]+ 420.10019 204.8
[M]- 420.10129 204.8
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.