CID 5273423

Chembl183772

Structural Information

Molecular Formula
C26H19F2N5
SMILES
CC1=CC=C(C=C1)CNC2=NC=NC3=C2N=C(C(=N3)C4=CC=C(C=C4)F)C5=CC=C(C=C5)F
InChI
InChI=1S/C26H19F2N5/c1-16-2-4-17(5-3-16)14-29-25-24-26(31-15-30-25)33-23(19-8-12-21(28)13-9-19)22(32-24)18-6-10-20(27)11-7-18/h2-13,15H,14H2,1H3,(H,29,30,31,33)
InChIKey
KIHFBFIDDXUUIZ-UHFFFAOYSA-N
Compound name
6,7-bis(4-fluorophenyl)-N-[(4-methylphenyl)methyl]pteridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

439.16086 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.16814 211.9
[M+Na]+ 462.15008 221.5
[M-H]- 438.15358 217.4
[M+NH4]+ 457.19468 215.5
[M+K]+ 478.12402 210.1
[M+H-H2O]+ 422.15812 194.9
[M+HCOO]- 484.15906 226.6
[M+CH3COO]- 498.17471 218.5
[M+Na-2H]- 460.13553 215.9
[M]+ 439.16031 209.5
[M]- 439.16141 209.5
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.