CID 3059647

Acetamide, n-(2-benzoyl-4-bromophenyl)-2-((2-hydroxyethyl)methylamino)-n-methyl-

Structural Information

Molecular Formula
C19H21BrN2O3
SMILES
CN(CCO)CC(=O)N(C)C1=C(C=C(C=C1)Br)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C19H21BrN2O3/c1-21(10-11-23)13-18(24)22(2)17-9-8-15(20)12-16(17)19(25)14-6-4-3-5-7-14/h3-9,12,23H,10-11,13H2,1-2H3
InChIKey
RMRDECBAKIOOGV-UHFFFAOYSA-N
Compound name
N-(2-benzoyl-4-bromophenyl)-2-[2-hydroxyethyl(methyl)amino]-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

404.07355 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.08083 188.0
[M+Na]+ 427.06277 194.4
[M-H]- 403.06627 197.4
[M+NH4]+ 422.10737 201.9
[M+K]+ 443.03671 184.2
[M+H-H2O]+ 387.07081 184.2
[M+HCOO]- 449.07175 208.2
[M+CH3COO]- 463.08740 226.4
[M+Na-2H]- 425.04822 189.1
[M]+ 404.07300 208.3
[M]- 404.07410 208.3
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