CID 5273418

Chembl362227

Structural Information

Molecular Formula
C23H21F2N5
SMILES
CCCC(C)NC1=NC=NC2=C1N=C(C(=N2)C3=CC=C(C=C3)F)C4=CC=C(C=C4)F
InChI
InChI=1S/C23H21F2N5/c1-3-4-14(2)28-22-21-23(27-13-26-22)30-20(16-7-11-18(25)12-8-16)19(29-21)15-5-9-17(24)10-6-15/h5-14H,3-4H2,1-2H3,(H,26,27,28,30)
InChIKey
XBWNAUFEINAEIY-UHFFFAOYSA-N
Compound name
6,7-bis(4-fluorophenyl)-N-pentan-2-ylpteridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

405.1765 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.18378 201.9
[M+Na]+ 428.16572 210.6
[M-H]- 404.16922 204.4
[M+NH4]+ 423.21032 207.4
[M+K]+ 444.13966 201.1
[M+H-H2O]+ 388.17376 186.6
[M+HCOO]- 450.17470 216.0
[M+CH3COO]- 464.19035 208.9
[M+Na-2H]- 426.15117 205.1
[M]+ 405.17595 200.4
[M]- 405.17705 200.4
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.