CID 3059060

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

Structural Information

Molecular Formula
C25H23ClFN3
SMILES
C1CN(CCN1CC2=C(NC3=CC=CC=C32)C4=CC=C(C=C4)F)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C25H23ClFN3/c26-19-7-11-21(12-8-19)30-15-13-29(14-16-30)17-23-22-3-1-2-4-24(22)28-25(23)18-5-9-20(27)10-6-18/h1-12,28H,13-17H2
InChIKey
ISQMOJYPLKKDNF-UHFFFAOYSA-N
Compound name
3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2-(4-fluorophenyl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.15646 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.16374 202.5
[M+Na]+ 442.14568 210.9
[M-H]- 418.14918 208.8
[M+NH4]+ 437.19028 210.8
[M+K]+ 458.11962 199.6
[M+H-H2O]+ 402.15372 188.9
[M+HCOO]- 464.15466 211.6
[M+CH3COO]- 478.17031 209.8
[M+Na-2H]- 440.13113 201.4
[M]+ 419.15591 199.5
[M]- 419.15701 199.5
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.