CID 135771909

Chembl2262451

Structural Information

Molecular Formula
C17H15N3O2
SMILES
COC1=CC=CC(=C1)C2=CC(=NC(=N2)N)C3=CC=CC=C3O
InChI
InChI=1S/C17H15N3O2/c1-22-12-6-4-5-11(9-12)14-10-15(20-17(18)19-14)13-7-2-3-8-16(13)21/h2-10,21H,1H3,(H2,18,19,20)
InChIKey
YRXRIVRDNXYOLB-UHFFFAOYSA-N
Compound name
2-[2-amino-6-(3-methoxyphenyl)pyrimidin-4-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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]+ 294.12370 169.0
[M+Na]+ 316.10564 177.8
[M-H]- 292.10914 175.1
[M+NH4]+ 311.15024 180.3
[M+K]+ 332.07958 171.9
[M+H-H2O]+ 276.11368 158.7
[M+HCOO]- 338.11462 190.2
[M+CH3COO]- 352.13027 179.9
[M+Na-2H]- 314.09109 174.1
[M]+ 293.11587 168.3
[M]- 293.11697 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.