CID 54698243

Nfsjybwxpkvdfr-uhfffaoysa-n

Structural Information

Molecular Formula
C19H15Cl2FN2O3
SMILES
CN1CC(=C(C1=O)O)C(=O)N(CC2=CC=C(C=C2)F)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C19H15Cl2FN2O3/c1-23-10-14(17(25)19(23)27)18(26)24(9-11-2-4-12(22)5-3-11)13-6-7-15(20)16(21)8-13/h2-8,25H,9-10H2,1H3
InChIKey
NFSJYBWXPKVDFR-UHFFFAOYSA-N
Compound name
N-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

408.04437 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.05165 190.5
[M+Na]+ 431.03359 200.5
[M-H]- 407.03709 198.0
[M+NH4]+ 426.07819 203.0
[M+K]+ 447.00753 193.7
[M+H-H2O]+ 391.04163 182.1
[M+HCOO]- 453.04257 201.8
[M+CH3COO]- 467.05822 223.7
[M+Na-2H]- 429.01904 187.0
[M]+ 408.04382 194.7
[M]- 408.04492 194.7
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