CID 5273419

Chembl369765

Structural Information

Molecular Formula
C24H23F2N5
SMILES
CCCCCCNC1=NC=NC2=C1N=C(C(=N2)C3=CC=C(C=C3)F)C4=CC=C(C=C4)F
InChI
InChI=1S/C24H23F2N5/c1-2-3-4-5-14-27-23-22-24(29-15-28-23)31-21(17-8-12-19(26)13-9-17)20(30-22)16-6-10-18(25)11-7-16/h6-13,15H,2-5,14H2,1H3,(H,27,28,29,31)
InChIKey
QMKDTJUCLXEAKM-UHFFFAOYSA-N
Compound name
6,7-bis(4-fluorophenyl)-N-hexylpteridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

419.19214 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.19942 206.3
[M+Na]+ 442.18136 214.9
[M-H]- 418.18486 208.5
[M+NH4]+ 437.22596 211.3
[M+K]+ 458.15530 204.6
[M+H-H2O]+ 402.18940 190.5
[M+HCOO]- 464.19034 221.0
[M+CH3COO]- 478.20599 213.0
[M+Na-2H]- 440.16681 210.0
[M]+ 419.19159 205.6
[M]- 419.19269 205.6
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.