CID 11844101

Chembl210109

Structural Information

Molecular Formula
C23H24F3N3
SMILES
CC1=C(C=C(N1C2=CC=C(C=C2)F)C3=C(C=C(C=C3)F)F)CN4CCN(CC4)C
InChI
InChI=1S/C23H24F3N3/c1-16-17(15-28-11-9-27(2)10-12-28)13-23(21-8-5-19(25)14-22(21)26)29(16)20-6-3-18(24)4-7-20/h3-8,13-14H,9-12,15H2,1-2H3
InChIKey
MZKAJYIDFRLFQT-UHFFFAOYSA-N
Compound name
1-[[5-(2,4-difluorophenyl)-1-(4-fluorophenyl)-2-methylpyrrol-3-yl]methyl]-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

399.19223 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.19951 199.0
[M+Na]+ 422.18145 207.7
[M-H]- 398.18495 204.0
[M+NH4]+ 417.22605 207.8
[M+K]+ 438.15539 198.7
[M+H-H2O]+ 382.18949 184.3
[M+HCOO]- 444.19043 211.8
[M+CH3COO]- 458.20608 206.8
[M+Na-2H]- 420.16690 193.5
[M]+ 399.19168 193.6
[M]- 399.19278 193.6
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.