CID 54698202

1-(2-acetamidoethyl)-n-[(3,4-dichlorophenyl)methyl]-4-hydroxy-n-methyl-5-oxo-2h-pyrrole-3-carboxamide

Structural Information

Molecular Formula
C17H19Cl2N3O4
SMILES
CC(=O)NCCN1CC(=C(C1=O)O)C(=O)N(C)CC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C17H19Cl2N3O4/c1-10(23)20-5-6-22-9-12(15(24)17(22)26)16(25)21(2)8-11-3-4-13(18)14(19)7-11/h3-4,7,24H,5-6,8-9H2,1-2H3,(H,20,23)
InChIKey
WEYHHGPHNXKCPT-UHFFFAOYSA-N
Compound name
1-(2-acetamidoethyl)-N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-2H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

399.07526 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.08254 190.6
[M+Na]+ 422.06448 198.3
[M-H]- 398.06798 196.1
[M+NH4]+ 417.10908 203.3
[M+K]+ 438.03842 193.3
[M+H-H2O]+ 382.07252 184.2
[M+HCOO]- 444.07346 202.9
[M+CH3COO]- 458.08911 224.9
[M+Na-2H]- 420.04993 186.9
[M]+ 399.07471 196.3
[M]- 399.07581 196.3
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