CID 54698241

Schembl6078610

Structural Information

Molecular Formula
C20H18F2N2O3
SMILES
CN1CC(=C(C1=O)O)C(=O)N(CC2=CC=C(C=C2)F)CC3=CC=C(C=C3)F
InChI
InChI=1S/C20H18F2N2O3/c1-23-12-17(18(25)20(23)27)19(26)24(10-13-2-6-15(21)7-3-13)11-14-4-8-16(22)9-5-14/h2-9,25H,10-12H2,1H3
InChIKey
DTPOJASENGLXDI-UHFFFAOYSA-N
Compound name
N,N-bis[(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

372.12854 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.13582 185.4
[M+Na]+ 395.11776 193.0
[M-H]- 371.12126 192.0
[M+NH4]+ 390.16236 197.5
[M+K]+ 411.09170 188.1
[M+H-H2O]+ 355.12580 174.5
[M+HCOO]- 417.12674 205.0
[M+CH3COO]- 431.14239 220.6
[M+Na-2H]- 393.10321 182.6
[M]+ 372.12799 184.6
[M]- 372.12909 184.6
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.