CID 5273425

Chembl361368

Structural Information

Molecular Formula
C20H15F2N5
SMILES
CN(C)C1=NC=NC2=C1N=C(C(=N2)C3=CC=C(C=C3)F)C4=CC=C(C=C4)F
InChI
InChI=1S/C20H15F2N5/c1-27(2)20-18-19(23-11-24-20)26-17(13-5-9-15(22)10-6-13)16(25-18)12-3-7-14(21)8-4-12/h3-11H,1-2H3
InChIKey
PKVAPOUQMPZTAK-UHFFFAOYSA-N
Compound name
6,7-bis(4-fluorophenyl)-N,N-dimethylpteridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

363.12955 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.13683 189.2
[M+Na]+ 386.11877 199.8
[M-H]- 362.12227 193.7
[M+NH4]+ 381.16337 197.2
[M+K]+ 402.09271 191.7
[M+H-H2O]+ 346.12681 174.2
[M+HCOO]- 408.12775 205.9
[M+CH3COO]- 422.14340 198.3
[M+Na-2H]- 384.10422 194.4
[M]+ 363.12900 188.6
[M]- 363.13010 188.6
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.