CID 54698190

Daiagoofpjsnle-uhfffaoysa-n

Structural Information

Molecular Formula
C21H20F2N2O3
SMILES
CN(CC1=CC=C(C=C1)F)C(=O)C2=C(C(=O)N(C2)CCC3=CC=C(C=C3)F)O
InChI
InChI=1S/C21H20F2N2O3/c1-24(12-15-4-8-17(23)9-5-15)20(27)18-13-25(21(28)19(18)26)11-10-14-2-6-16(22)7-3-14/h2-9,26H,10-13H2,1H3
InChIKey
DAIAGOOFPJSNLE-UHFFFAOYSA-N
Compound name
1-[2-(4-fluorophenyl)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

386.1442 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.15148 190.0
[M+Na]+ 409.13342 197.1
[M-H]- 385.13692 196.3
[M+NH4]+ 404.17802 201.5
[M+K]+ 425.10736 192.0
[M+H-H2O]+ 369.14146 178.9
[M+HCOO]- 431.14240 209.2
[M+CH3COO]- 445.15805 223.5
[M+Na-2H]- 407.11887 186.7
[M]+ 386.14365 189.5
[M]- 386.14475 189.5
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

patents stripe