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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.08183 142.6
[M+Na]+ 234.06377 153.8
[M-H]- 210.06727 148.9
[M+NH4]+ 229.10837 159.8
[M+K]+ 250.03771 150.2
[M+H-H2O]+ 194.07181 134.4
[M+HCOO]- 256.07275 166.8
[M+CH3COO]- 270.08840 156.6
[M+Na-2H]- 232.04922 151.7
[M]+ 211.07400 144.3
[M]- 211.07510 144.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe