CID 470448

Chembl330411

Structural Information

Molecular Formula
C20H18FNO2
SMILES
CCOC(=O)C1=CN(C=C1C2=CC=CC=C2)CC3=CC=C(C=C3)F
InChI
InChI=1S/C20H18FNO2/c1-2-24-20(23)19-14-22(12-15-8-10-17(21)11-9-15)13-18(19)16-6-4-3-5-7-16/h3-11,13-14H,2,12H2,1H3
InChIKey
OMIPKISOSVSNES-UHFFFAOYSA-N
Compound name
ethyl 1-[(4-fluorophenyl)methyl]-4-phenylpyrrole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

323.13217 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.13945 175.9
[M+Na]+ 346.12139 183.8
[M-H]- 322.12489 183.3
[M+NH4]+ 341.16599 190.2
[M+K]+ 362.09533 178.5
[M+H-H2O]+ 306.12943 165.7
[M+HCOO]- 368.13037 197.6
[M+CH3COO]- 382.14602 207.8
[M+Na-2H]- 344.10684 176.4
[M]+ 323.13162 177.2
[M]- 323.13272 177.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.