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
1
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]+ 433.25105 205.0
[M+Na]+ 455.23299 211.3
[M-H]- 431.23649 208.0
[M+NH4]+ 450.27759 209.5
[M+K]+ 471.20693 201.2
[M+H-H2O]+ 415.24103 190.0
[M+HCOO]- 477.24197 215.7
[M+CH3COO]- 491.25762 210.6
[M+Na-2H]- 453.21844 201.9
[M]+ 432.24322 201.8
[M]- 432.24432 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.