CID 5273430

Chembl182233

Structural Information

Molecular Formula
C23H15F2N5O
SMILES
C1=COC(=C1)CNC2=NC=NC3=C2N=C(C(=N3)C4=CC=C(C=C4)F)C5=CC=C(C=C5)F
InChI
InChI=1S/C23H15F2N5O/c24-16-7-3-14(4-8-16)19-20(15-5-9-17(25)10-6-15)30-23-21(29-19)22(27-13-28-23)26-12-18-2-1-11-31-18/h1-11,13H,12H2,(H,26,27,28,30)
InChIKey
HILLOTJZWBMZDX-UHFFFAOYSA-N
Compound name
6,7-bis(4-fluorophenyl)-N-(furan-2-ylmethyl)pteridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

415.12448 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.13176 198.7
[M+Na]+ 438.11370 210.0
[M-H]- 414.11720 206.3
[M+NH4]+ 433.15830 204.1
[M+K]+ 454.08764 201.2
[M+H-H2O]+ 398.12174 183.6
[M+HCOO]- 460.12268 216.5
[M+CH3COO]- 474.13833 207.6
[M+Na-2H]- 436.09915 203.1
[M]+ 415.12393 199.6
[M]- 415.12503 199.6
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.