CID 154699665

Ns00117412

Structural Information

Molecular Formula
C25H29FN6
SMILES
C1CN(CCN1CCCC2=CC3=C(N2)C=CC(=C3)N4C=NN=C4)CCC5=CC(=CC=C5)F
InChI
InChI=1S/C25H29FN6/c26-22-4-1-3-20(15-22)8-10-31-13-11-30(12-14-31)9-2-5-23-16-21-17-24(6-7-25(21)29-23)32-18-27-28-19-32/h1,3-4,6-7,15-19,29H,2,5,8-14H2
InChIKey
HYDKUVPEVOHALC-UHFFFAOYSA-N
Compound name
2-[3-[4-[2-(3-fluorophenyl)ethyl]piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

432.24377 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.251046 205.0
[M+Na]+ 455.232988 211.3
[M-H]- 431.236494 208.0
[M+NH4]+ 450.277593 209.5
[M+K]+ 471.206928 201.2
[M+H-H2O]+ 415.241030 190.0
[M+HCOO]- 477.241971 215.7
[M+CH3COO]- 491.257621 210.6
[M+Na-2H]- 453.218436 201.9
[M]+ 432.24322142 201.8
[M]- 432.24431858 201.8
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.