CID 10316032

Sd-208

Structural Information

Molecular Formula
C17H10ClFN6
SMILES
C1=CC(=C(C=C1Cl)C2=NC3=NC=CN=C3C(=N2)NC4=CC=NC=C4)F
InChI
InChI=1S/C17H10ClFN6/c18-10-1-2-13(19)12(9-10)15-24-16-14(21-7-8-22-16)17(25-15)23-11-3-5-20-6-4-11/h1-9H,(H,20,22,23,24,25)
InChIKey
BERLXWPRSBJFHO-UHFFFAOYSA-N
Compound name
2-(5-chloro-2-fluorophenyl)-N-pyridin-4-ylpteridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

64
References

605
Patents

352.06396 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.07124 178.8
[M+Na]+ 375.05318 197.5
[M+NH4]+ 370.09778 185.9
[M+K]+ 391.02712 187.8
[M-H]- 351.05668 183.4
[M+Na-2H]- 373.03863 190.4
[M]+ 352.06341 183.2
[M]- 352.06451 183.2
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

patents stripe