CID 6426760

188400-51-3

Structural Information

Molecular Formula
C25H29FN6
SMILES
C1CN(CCN1CCCC2=CNC3=C2C=C(C=C3)N4C=NN=C4)CCC5=CC(=CC=C5)F
InChI
InChI=1S/C25H29FN6/c26-22-5-1-3-20(15-22)8-10-31-13-11-30(12-14-31)9-2-4-21-17-27-25-7-6-23(16-24(21)25)32-18-28-29-19-32/h1,3,5-7,15-19,27H,2,4,8-14H2
InChIKey
ZUTQCPBDRJBADG-UHFFFAOYSA-N
Compound name
3-[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

13
References

9
Patents

432.24377 Da
Monoisotopic Mass

3.7
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

patents stripe