CID 3058826

75637-33-1

Structural Information

Molecular Formula
C23H26Cl2N2O2
SMILES
CN(CC(=O)N(C)C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2Cl)C3CCCCC3
InChI
InChI=1S/C23H26Cl2N2O2/c1-26(17-8-4-3-5-9-17)15-22(28)27(2)21-13-12-16(24)14-19(21)23(29)18-10-6-7-11-20(18)25/h6-7,10-14,17H,3-5,8-9,15H2,1-2H3
InChIKey
YRUOPQOVSWJDKS-UHFFFAOYSA-N
Compound name
N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-[cyclohexyl(methyl)amino]-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

432.13715 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.14443 202.7
[M+Na]+ 455.12637 206.1
[M-H]- 431.12987 212.7
[M+NH4]+ 450.17097 213.7
[M+K]+ 471.10031 201.2
[M+H-H2O]+ 415.13441 193.9
[M+HCOO]- 477.13535 213.4
[M+CH3COO]- 491.15100 236.6
[M+Na-2H]- 453.11182 199.3
[M]+ 432.13660 204.8
[M]- 432.13770 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

No literature data available for this compound.

Patent stripe

patents stripe