CID 135420365

2-amino-6-phenylpyrimidin-4-ol

Structural Information

Molecular Formula
C10H9N3O
SMILES
C1=CC=C(C=C1)C2=CC(=O)NC(=N2)N
InChI
InChI=1S/C10H9N3O/c11-10-12-8(6-9(14)13-10)7-4-2-1-3-5-7/h1-6H,(H3,11,12,13,14)
InChIKey
KXYGHDWFGFZJPJ-UHFFFAOYSA-N
Compound name
2-amino-4-phenyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

93
Patents

187.07455 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.08183 138.5
[M+Na]+ 210.06377 147.8
[M-H]- 186.06727 141.4
[M+NH4]+ 205.10837 154.3
[M+K]+ 226.03771 142.9
[M+H-H2O]+ 170.07181 130.4
[M+HCOO]- 232.07275 160.9
[M+CH3COO]- 246.08840 151.1
[M+Na-2H]- 208.04922 146.3
[M]+ 187.07400 135.1
[M]- 187.07510 135.1
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