CID 135491498

Chembl197964

Structural Information

Molecular Formula
C17H15N3O2
SMILES
COC1=CC=C(C=C1)C2=NC(=NC(=C2)C3=CC=C(C=C3)O)N
InChI
InChI=1S/C17H15N3O2/c1-22-14-8-4-12(5-9-14)16-10-15(19-17(18)20-16)11-2-6-13(21)7-3-11/h2-10,21H,1H3,(H2,18,19,20)
InChIKey
RPHYACONMPKZKO-UHFFFAOYSA-N
Compound name
4-[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

293.11642 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.123696 169.0
[M+Na]+ 316.105638 177.8
[M-H]- 292.109144 175.1
[M+NH4]+ 311.150243 180.3
[M+K]+ 332.079578 171.9
[M+H-H2O]+ 276.113680 158.7
[M+HCOO]- 338.114621 190.2
[M+CH3COO]- 352.130271 179.9
[M+Na-2H]- 314.091086 174.1
[M]+ 293.11587142 168.3
[M]- 293.11696858 168.3
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

No patent data available for this compound.