CID 5273404

Chembl183482

Structural Information

Molecular Formula
C26H20FN5
SMILES
C1=CC=C(C=C1)C2=NC3=C(N=CN=C3NCCC4=CC=C(C=C4)F)N=C2C5=CC=CC=C5
InChI
InChI=1S/C26H20FN5/c27-21-13-11-18(12-14-21)15-16-28-25-24-26(30-17-29-25)32-23(20-9-5-2-6-10-20)22(31-24)19-7-3-1-4-8-19/h1-14,17H,15-16H2,(H,28,29,30,32)
InChIKey
FUHZYOBNTLEOOB-UHFFFAOYSA-N
Compound name
N-[2-(4-fluorophenyl)ethyl]-6,7-diphenylpteridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

421.1703 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.17758 205.0
[M+Na]+ 444.15952 212.7
[M-H]- 420.16302 211.1
[M+NH4]+ 439.20412 208.8
[M+K]+ 460.13346 201.9
[M+H-H2O]+ 404.16756 188.8
[M+HCOO]- 466.16850 220.9
[M+CH3COO]- 480.18415 211.7
[M+Na-2H]- 442.14497 211.5
[M]+ 421.16975 202.6
[M]- 421.17085 202.6
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.