CID 54698238

Ujivbtkxftwyhe-uhfffaoysa-n

Structural Information

Molecular Formula
C20H18F2N2O4
SMILES
CN1CC(=C(C1=O)O)C(=O)N(C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)OC
InChI
InChI=1S/C20H18F2N2O4/c1-23-11-16(18(25)20(23)27)19(26)24(28-2)17(12-3-7-14(21)8-4-12)13-5-9-15(22)10-6-13/h3-10,17,25H,11H2,1-2H3
InChIKey
UJIVBTKXFTWYHE-UHFFFAOYSA-N
Compound name
N-[bis(4-fluorophenyl)methyl]-4-hydroxy-N-methoxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

388.12347 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.13075 187.7
[M+Na]+ 411.11269 194.7
[M-H]- 387.11619 194.3
[M+NH4]+ 406.15729 198.9
[M+K]+ 427.08663 191.2
[M+H-H2O]+ 371.12073 176.8
[M+HCOO]- 433.12167 206.4
[M+CH3COO]- 447.13732 223.7
[M+Na-2H]- 409.09814 184.0
[M]+ 388.12292 187.7
[M]- 388.12402 187.7
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