CID 3053906

Acetamide, n-(2-benzoyl-4-chlorophenyl)-2-(bis(2-hydroxyethyl)amino)-n-methyl-, monohydrochloride

Structural Information

Molecular Formula
C20H23ClN2O4
SMILES
CN(C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2)C(=O)CN(CCO)CCO
InChI
InChI=1S/C20H23ClN2O4/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
ZAJWAKWXKXWLTE-UHFFFAOYSA-N
Compound name
N-(2-benzoyl-4-chlorophenyl)-2-[bis(2-hydroxyethyl)amino]-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.13464 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.14192 191.6
[M+Na]+ 413.12386 195.5
[M-H]- 389.12736 197.7
[M+NH4]+ 408.16846 202.7
[M+K]+ 429.09780 192.1
[M+H-H2O]+ 373.13190 183.5
[M+HCOO]- 435.13284 208.8
[M+CH3COO]- 449.14849 225.4
[M+Na-2H]- 411.10931 190.9
[M]+ 390.13409 196.4
[M]- 390.13519 196.4
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

No patent data available for this compound.