CID 11843967

Chembl214213

Structural Information

Molecular Formula
C23H25F2N3
SMILES
CC1=C(C=C(N1C2=CC=C(C=C2)F)C3=CC=CC=C3F)CN4CCN(CC4)C
InChI
InChI=1S/C23H25F2N3/c1-17-18(16-27-13-11-26(2)12-14-27)15-23(21-5-3-4-6-22(21)25)28(17)20-9-7-19(24)8-10-20/h3-10,15H,11-14,16H2,1-2H3
InChIKey
UYNMCSUNBARPIQ-UHFFFAOYSA-N
Compound name
1-[[5-(2-fluorophenyl)-1-(4-fluorophenyl)-2-methylpyrrol-3-yl]methyl]-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

381.20166 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.20894 195.2
[M+Na]+ 404.19088 202.9
[M-H]- 380.19438 201.2
[M+NH4]+ 399.23548 204.4
[M+K]+ 420.16482 194.5
[M+H-H2O]+ 364.19892 181.2
[M+HCOO]- 426.19986 209.2
[M+CH3COO]- 440.21551 203.3
[M+Na-2H]- 402.17633 191.1
[M]+ 381.20111 190.3
[M]- 381.20221 190.3
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.