CID 16077224

1-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-n-[(4-fluorophenyl)methoxy]methanimine

Structural Information

Molecular Formula
C20H18F2N2O
SMILES
CC1=CC(=C(N1C2=CC=C(C=C2)F)C)/C=N/OCC3=CC=C(C=C3)F
InChI
InChI=1S/C20H18F2N2O/c1-14-11-17(12-23-25-13-16-3-5-18(21)6-4-16)15(2)24(14)20-9-7-19(22)8-10-20/h3-12H,13H2,1-2H3/b23-12+
InChIKey
PQTUZWBRAVSBJL-FSJBWODESA-N
Compound name
(E)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-N-[(4-fluorophenyl)methoxy]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

340.13873 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.14601 179.3
[M+Na]+ 363.12795 189.1
[M-H]- 339.13145 187.3
[M+NH4]+ 358.17255 194.0
[M+K]+ 379.10189 182.9
[M+H-H2O]+ 323.13599 167.9
[M+HCOO]- 385.13693 203.2
[M+CH3COO]- 399.15258 217.3
[M+Na-2H]- 361.11340 179.8
[M]+ 340.13818 180.8
[M]- 340.13928 180.8
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.