CID 54698187

Sqnkmulqljjuag-uhfffaoysa-n

Structural Information

Molecular Formula
C21H19Cl2FN2O3
SMILES
CN(CC1=CC=C(C=C1)F)C(=O)C2=C(C(=O)N(C2)CCC3=C(C=C(C=C3)Cl)Cl)O
InChI
InChI=1S/C21H19Cl2FN2O3/c1-25(11-13-2-6-16(24)7-3-13)20(28)17-12-26(21(29)19(17)27)9-8-14-4-5-15(22)10-18(14)23/h2-7,10,27H,8-9,11-12H2,1H3
InChIKey
SQNKMULQLJJUAG-UHFFFAOYSA-N
Compound name
1-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-fluorophenyl)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

436.07568 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.08296 199.6
[M+Na]+ 459.06490 208.7
[M-H]- 435.06840 206.7
[M+NH4]+ 454.10950 210.9
[M+K]+ 475.03884 201.5
[M+H-H2O]+ 419.07294 190.7
[M+HCOO]- 481.07388 210.2
[M+CH3COO]- 495.08953 229.4
[M+Na-2H]- 457.05035 195.1
[M]+ 436.07513 204.5
[M]- 436.07623 204.5
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.