CID 3059061

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

Structural Information

Molecular Formula
C25H24FN3
SMILES
C1CN(CCN1CC2=C(NC3=CC=CC=C32)C4=CC=C(C=C4)F)C5=CC=CC=C5
InChI
InChI=1S/C25H24FN3/c26-20-12-10-19(11-13-20)25-23(22-8-4-5-9-24(22)27-25)18-28-14-16-29(17-15-28)21-6-2-1-3-7-21/h1-13,27H,14-18H2
InChIKey
HUKODNQFFDNYKH-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-3-[(4-phenylpiperazin-1-yl)methyl]-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.19543 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.20271 194.6
[M+Na]+ 408.18465 201.4
[M-H]- 384.18815 201.0
[M+NH4]+ 403.22925 203.2
[M+K]+ 424.15859 191.3
[M+H-H2O]+ 368.19269 181.0
[M+HCOO]- 430.19363 208.5
[M+CH3COO]- 444.20928 202.1
[M+Na-2H]- 406.17010 195.0
[M]+ 385.19488 188.8
[M]- 385.19598 188.8
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.