CID 3058810

75615-98-4

Structural Information

Molecular Formula
C22H24Cl2N2O2
SMILES
CN(C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2Cl)C(=O)CNC3CCCCC3
InChI
InChI=1S/C22H24Cl2N2O2/c1-26(21(27)14-25-16-7-3-2-4-8-16)20-12-11-15(23)13-18(20)22(28)17-9-5-6-10-19(17)24/h5-6,9-13,16,25H,2-4,7-8,14H2,1H3
InChIKey
WUQPGMWUGIBENL-UHFFFAOYSA-N
Compound name
N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(cyclohexylamino)-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

418.1215 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.12878 198.8
[M+Na]+ 441.11072 202.5
[M-H]- 417.11422 207.6
[M+NH4]+ 436.15532 209.7
[M+K]+ 457.08466 196.5
[M+H-H2O]+ 401.11876 190.4
[M+HCOO]- 463.11970 209.4
[M+CH3COO]- 477.13535 230.6
[M+Na-2H]- 439.09617 196.6
[M]+ 418.12095 199.3
[M]- 418.12205 199.3
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

patents stripe