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: 65
References: 613
Patents: 352.06396 Da
Monoisotopic Mass: 3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	353.07124	180.6
[M+Na]+	375.05318	192.0
[M-H]-	351.05668	183.2
[M+NH4]+	370.09778	187.6
[M+K]+	391.02712	182.2
[M+H-H2O]+	335.06122	166.5
[M+HCOO]-	397.06216	192.7
[M+CH3COO]-	411.07781	189.4
[M+Na-2H]-	373.03863	189.2
[M]+	352.06341	181.0
[M]-	352.06451	181.0

Literature stripe

literature stripe

Patent stripe

patents stripe