CID 456944

1-(4-fluorophenyl)-2-methyl-5-phenyl-3-(pyrrolidin-1-ylmethyl)pyrrole

Structural Information

Molecular Formula
C22H23FN2
SMILES
CC1=C(C=C(N1C2=CC=C(C=C2)F)C3=CC=CC=C3)CN4CCCC4
InChI
InChI=1S/C22H23FN2/c1-17-19(16-24-13-5-6-14-24)15-22(18-7-3-2-4-8-18)25(17)21-11-9-20(23)10-12-21/h2-4,7-12,15H,5-6,13-14,16H2,1H3
InChIKey
PYNOCANPHGGXMT-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-2-methyl-5-phenyl-3-(pyrrolidin-1-ylmethyl)pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.18454 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.19182 180.4
[M+Na]+ 357.17376 187.7
[M-H]- 333.17726 189.5
[M+NH4]+ 352.21836 194.7
[M+K]+ 373.14770 180.7
[M+H-H2O]+ 317.18180 169.3
[M+HCOO]- 379.18274 199.8
[M+CH3COO]- 393.19839 190.8
[M+Na-2H]- 355.15921 177.4
[M]+ 334.18399 177.5
[M]- 334.18509 177.5
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.