CID 5273420

Chembl181882

Structural Information

Molecular Formula
C25H25F2N5O
SMILES
CCCCOCCCNC1=NC=NC2=C1N=C(C(=N2)C3=CC=C(C=C3)F)C4=CC=C(C=C4)F
InChI
InChI=1S/C25H25F2N5O/c1-2-3-14-33-15-4-13-28-24-23-25(30-16-29-24)32-22(18-7-11-20(27)12-8-18)21(31-23)17-5-9-19(26)10-6-17/h5-12,16H,2-4,13-15H2,1H3,(H,28,29,30,32)
InChIKey
NFKRZHSFBUIZGI-UHFFFAOYSA-N
Compound name
N-(3-butoxypropyl)-6,7-bis(4-fluorophenyl)pteridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

449.20273 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.21001 213.3
[M+Na]+ 472.19195 221.0
[M-H]- 448.19545 215.2
[M+NH4]+ 467.23655 216.9
[M+K]+ 488.16589 211.3
[M+H-H2O]+ 432.19999 197.1
[M+HCOO]- 494.20093 227.7
[M+CH3COO]- 508.21658 219.3
[M+Na-2H]- 470.17740 216.5
[M]+ 449.20218 214.2
[M]- 449.20328 214.2
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.