CID 5273431

Chembl183402

Structural Information

Molecular Formula
C26H19F2N5
SMILES
C1=CC=C(C=C1)CCNC2=NC=NC3=C2N=C(C(=N3)C4=CC=C(C=C4)F)C5=CC=C(C=C5)F
InChI
InChI=1S/C26H19F2N5/c27-20-10-6-18(7-11-20)22-23(19-8-12-21(28)13-9-19)33-26-24(32-22)25(30-16-31-26)29-15-14-17-4-2-1-3-5-17/h1-13,16H,14-15H2,(H,29,30,31,33)
InChIKey
KGZKAXQHINXCIW-UHFFFAOYSA-N
Compound name
6,7-bis(4-fluorophenyl)-N-(2-phenylethyl)pteridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

439.16086 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.16814 209.9
[M+Na]+ 462.15008 218.6
[M-H]- 438.15358 215.0
[M+NH4]+ 457.19468 213.2
[M+K]+ 478.12402 207.2
[M+H-H2O]+ 422.15812 192.8
[M+HCOO]- 484.15906 224.7
[M+CH3COO]- 498.17471 216.3
[M+Na-2H]- 460.13553 214.9
[M]+ 439.16031 207.0
[M]- 439.16141 207.0
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.