CID 5273432

Chembl426244

Structural Information

Molecular Formula
C27H21F2N5O
SMILES
COC1=CC=CC=C1CCNC2=NC=NC3=C2N=C(C(=N3)C4=CC=C(C=C4)F)C5=CC=C(C=C5)F
InChI
InChI=1S/C27H21F2N5O/c1-35-22-5-3-2-4-17(22)14-15-30-26-25-27(32-16-31-26)34-24(19-8-12-21(29)13-9-19)23(33-25)18-6-10-20(28)11-7-18/h2-13,16H,14-15H2,1H3,(H,30,31,32,34)
InChIKey
WSMPIUFDKATHJV-UHFFFAOYSA-N
Compound name
6,7-bis(4-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]pteridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

469.17142 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.17870 218.7
[M+Na]+ 492.16064 227.5
[M-H]- 468.16414 224.1
[M+NH4]+ 487.20524 220.9
[M+K]+ 508.13458 216.8
[M+H-H2O]+ 452.16868 201.3
[M+HCOO]- 514.16962 233.2
[M+CH3COO]- 528.18527 224.7
[M+Na-2H]- 490.14609 222.4
[M]+ 469.17087 217.8
[M]- 469.17197 217.8
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.