CID 3059653

76938-33-5

Structural Information

Molecular Formula
C20H21BrN2O3
SMILES
CN(C1=C(C=C(C=C1)Br)C(=O)C2=CC=CC=C2)C(=O)CN3CCOCC3
InChI
InChI=1S/C20H21BrN2O3/c1-22(19(24)14-23-9-11-26-12-10-23)18-8-7-16(21)13-17(18)20(25)15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3
InChIKey
HIGAJPKHVPRUJT-UHFFFAOYSA-N
Compound name
N-(2-benzoyl-4-bromophenyl)-N-methyl-2-morpholin-4-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

416.07355 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.08083 191.7
[M+Na]+ 439.06277 197.2
[M-H]- 415.06627 202.6
[M+NH4]+ 434.10737 202.4
[M+K]+ 455.03671 187.9
[M+H-H2O]+ 399.07081 187.7
[M+HCOO]- 461.07175 206.8
[M+CH3COO]- 475.08740 223.5
[M+Na-2H]- 437.04822 193.5
[M]+ 416.07300 208.4
[M]- 416.07410 208.4
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