CID 5273426

Chembl182281

Structural Information

Molecular Formula
C26H27F2N5
SMILES
CCCCC(CC)CNC1=NC=NC2=C1N=C(C(=N2)C3=CC=C(C=C3)F)C4=CC=C(C=C4)F
InChI
InChI=1S/C26H27F2N5/c1-3-5-6-17(4-2)15-29-25-24-26(31-16-30-25)33-23(19-9-13-21(28)14-10-19)22(32-24)18-7-11-20(27)12-8-18/h7-14,16-17H,3-6,15H2,1-2H3,(H,29,30,31,33)
InChIKey
QHYGMKOVGQKLPW-UHFFFAOYSA-N
Compound name
N-(2-ethylhexyl)-6,7-bis(4-fluorophenyl)pteridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

447.22345 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.23073 214.7
[M+Na]+ 470.21267 221.9
[M-H]- 446.21617 216.6
[M+NH4]+ 465.25727 218.4
[M+K]+ 486.18661 211.9
[M+H-H2O]+ 430.22071 198.8
[M+HCOO]- 492.22165 227.7
[M+CH3COO]- 506.23730 220.4
[M+Na-2H]- 468.19812 216.4
[M]+ 447.22290 214.1
[M]- 447.22400 214.1
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.