CID 5273421

Chembl181773

Structural Information

Molecular Formula
C23H19F2N5
SMILES
C1CCN(CC1)C2=NC=NC3=C2N=C(C(=N3)C4=CC=C(C=C4)F)C5=CC=C(C=C5)F
InChI
InChI=1S/C23H19F2N5/c24-17-8-4-15(5-9-17)19-20(16-6-10-18(25)11-7-16)29-22-21(28-19)23(27-14-26-22)30-12-2-1-3-13-30/h4-11,14H,1-3,12-13H2
InChIKey
IUFRJHUKPKJVQF-UHFFFAOYSA-N
Compound name
6,7-bis(4-fluorophenyl)-4-piperidin-1-ylpteridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

403.16086 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.16814 203.0
[M+Na]+ 426.15008 211.0
[M-H]- 402.15358 206.1
[M+NH4]+ 421.19468 206.5
[M+K]+ 442.12402 200.2
[M+H-H2O]+ 386.15812 185.5
[M+HCOO]- 448.15906 212.2
[M+CH3COO]- 462.17471 208.7
[M+Na-2H]- 424.13553 205.3
[M]+ 403.16031 196.0
[M]- 403.16141 196.0
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.