CID 54698183

Jlvdxhlfoutjbx-uhfffaoysa-n

Structural Information

Molecular Formula
C21H20ClFN2O3
SMILES
CN(CC1=CC=C(C=C1)F)C(=O)C2=C(C(=O)N(C2)CCC3=CC=C(C=C3)Cl)O
InChI
InChI=1S/C21H20ClFN2O3/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
JLVDXHLFOUTJBX-UHFFFAOYSA-N
Compound name
1-[2-(4-chlorophenyl)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

3
Patents

402.11465 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.12193 194.0
[M+Na]+ 425.10387 201.8
[M-H]- 401.10737 201.5
[M+NH4]+ 420.14847 205.9
[M+K]+ 441.07781 195.6
[M+H-H2O]+ 385.11191 184.3
[M+HCOO]- 447.11285 209.7
[M+CH3COO]- 461.12850 224.4
[M+Na-2H]- 423.08932 190.8
[M]+ 402.11410 197.0
[M]- 402.11520 197.0
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.