CID 3059646

Acetamide, n-(2-benzoyl-4-bromophenyl)-2-(cyclohexylamino)-n-methyl-, monohydrochloride

Structural Information

Molecular Formula
C22H25BrN2O2
SMILES
CN(C1=C(C=C(C=C1)Br)C(=O)C2=CC=CC=C2)C(=O)CNC3CCCCC3
InChI
InChI=1S/C22H25BrN2O2/c1-25(21(26)15-24-18-10-6-3-7-11-18)20-13-12-17(23)14-19(20)22(27)16-8-4-2-5-9-16/h2,4-5,8-9,12-14,18,24H,3,6-7,10-11,15H2,1H3
InChIKey
ODJXFUDQSIZXQM-UHFFFAOYSA-N
Compound name
N-(2-benzoyl-4-bromophenyl)-2-(cyclohexylamino)-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.10995 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.11723 196.8
[M+Na]+ 451.09917 200.4
[M-H]- 427.10267 207.7
[M+NH4]+ 446.14377 209.1
[M+K]+ 467.07311 189.1
[M+H-H2O]+ 411.10721 192.6
[M+HCOO]- 473.10815 213.9
[M+CH3COO]- 487.12380 229.1
[M+Na-2H]- 449.08462 197.0
[M]+ 428.10940 210.9
[M]- 428.11050 210.9
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.