CID 5273417

Chembl182632

Structural Information

Molecular Formula
C20H15F2N5
SMILES
CCNC1=NC=NC2=C1N=C(C(=N2)C3=CC=C(C=C3)F)C4=CC=C(C=C4)F
InChI
InChI=1S/C20H15F2N5/c1-2-23-19-18-20(25-11-24-19)27-17(13-5-9-15(22)10-6-13)16(26-18)12-3-7-14(21)8-4-12/h3-11H,2H2,1H3,(H,23,24,25,27)
InChIKey
QMRYABJCLZAXIS-UHFFFAOYSA-N
Compound name
N-ethyl-6,7-bis(4-fluorophenyl)pteridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

363.12955 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.13683 189.1
[M+Na]+ 386.11877 199.6
[M-H]- 362.12227 192.1
[M+NH4]+ 381.16337 196.5
[M+K]+ 402.09271 190.1
[M+H-H2O]+ 346.12681 174.3
[M+HCOO]- 408.12775 205.3
[M+CH3COO]- 422.14340 197.6
[M+Na-2H]- 384.10422 195.0
[M]+ 363.12900 187.3
[M]- 363.13010 187.3
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.