CID 696524

6-phenylfuro[2,3-d]pyrimidin-4-amine

Structural Information

Molecular Formula

C₁₂H₉N₃O

SMILES

C1=CC=C(C=C1)C2=CC3=C(N=CN=C3O2)N

InChI

InChI=1S/C12H9N3O/c13-11-9-6-10(8-4-2-1-3-5-8)16-12(9)15-7-14-11/h1-7H,(H2,13,14,15)

InChIKey

KLUPXPVKDBPOMJ-UHFFFAOYSA-N

Compound name

6-phenylfuro[2,3-d]pyrimidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 67
Patents: 211.07455 Da
Monoisotopic Mass: 2.3
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]+	212.08183	143.1
[M+Na]+	234.06377	159.0
[M+NH4]+	229.10837	152.1
[M+K]+	250.03771	153.7
[M-H]-	210.06727	149.0
[M+Na-2H]-	232.04922	152.6
[M]+	211.07400	147.1
[M]-	211.07510	147.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe