CID 3059059

1h-indole, 2-(4-fluorophenyl)-3-((4-fluorophenyl-1-piperazinyl)methyl)-

Structural Information

Molecular Formula
C25H23F2N3
SMILES
C1CN(CCN1CC2=C(NC3=CC=CC=C32)C4=CC=C(C=C4)F)C5=CC=C(C=C5)F
InChI
InChI=1S/C25H23F2N3/c26-19-7-5-18(6-8-19)25-23(22-3-1-2-4-24(22)28-25)17-29-13-15-30(16-14-29)21-11-9-20(27)10-12-21/h1-12,28H,13-17H2
InChIKey
VRNCEVFZJUWZEB-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.186 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.19328 198.9
[M+Na]+ 426.17522 206.7
[M-H]- 402.17872 204.3
[M+NH4]+ 421.21982 207.0
[M+K]+ 442.14916 196.0
[M+H-H2O]+ 386.18326 184.5
[M+HCOO]- 448.18420 211.6
[M+CH3COO]- 462.19985 206.1
[M+Na-2H]- 424.16067 197.8
[M]+ 403.18545 192.6
[M]- 403.18655 192.6
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.