CID 3059649

Acetamide, n-(2-benzoyl-4-bromophenyl)-2-(bis(2-hydroxyethyl)amino)-n-methyl-, hydrochloride

Structural Information

Molecular Formula
C20H23BrN2O4
SMILES
CN(C1=C(C=C(C=C1)Br)C(=O)C2=CC=CC=C2)C(=O)CN(CCO)CCO
InChI
InChI=1S/C20H23BrN2O4/c1-22(19(26)14-23(9-11-24)10-12-25)18-8-7-16(21)13-17(18)20(27)15-5-3-2-4-6-15/h2-8,13,24-25H,9-12,14H2,1H3
InChIKey
HYRQGNZKZWQRLY-UHFFFAOYSA-N
Compound name
N-(2-benzoyl-4-bromophenyl)-2-[bis(2-hydroxyethyl)amino]-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.0841 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.09138 195.0
[M+Na]+ 457.07332 200.1
[M-H]- 433.07682 202.7
[M+NH4]+ 452.11792 206.8
[M+K]+ 473.04726 189.6
[M+H-H2O]+ 417.08136 190.8
[M+HCOO]- 479.08230 213.5
[M+CH3COO]- 493.09795 229.0
[M+Na-2H]- 455.05877 195.2
[M]+ 434.08355 215.0
[M]- 434.08465 215.0
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.