CID 3209888

Chembl375591

Structural Information

Molecular Formula
C25H30F2N6
SMILES
C1CCC(CC1)N2CCN(CC2)C(C3=CC=CC=C3F)C4=NN=NN4CC5=CC=C(C=C5)F
InChI
InChI=1S/C25H30F2N6/c26-20-12-10-19(11-13-20)18-33-25(28-29-30-33)24(22-8-4-5-9-23(22)27)32-16-14-31(15-17-32)21-6-2-1-3-7-21/h4-5,8-13,21,24H,1-3,6-7,14-18H2
InChIKey
VLTCVGABAUANGJ-UHFFFAOYSA-N
Compound name
1-cyclohexyl-4-[(2-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

452.25 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.25728 211.9
[M+Na]+ 475.23922 214.4
[M-H]- 451.24272 214.9
[M+NH4]+ 470.28382 212.2
[M+K]+ 491.21316 204.9
[M+H-H2O]+ 435.24726 193.6
[M+HCOO]- 497.24820 216.6
[M+CH3COO]- 511.26385 215.0
[M+Na-2H]- 473.22467 206.1
[M]+ 452.24945 200.9
[M]- 452.25055 200.9
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.