CID 135491497

Phenol, 4-[2-amino-6-(4-methylphenyl)-4-pyrimidinyl]-

Structural Information

Molecular Formula
C17H15N3O
SMILES
CC1=CC=C(C=C1)C2=CC(=NC(=N2)N)C3=CC=C(C=C3)O
InChI
InChI=1S/C17H15N3O/c1-11-2-4-12(5-3-11)15-10-16(20-17(18)19-15)13-6-8-14(21)9-7-13/h2-10,21H,1H3,(H2,18,19,20)
InChIKey
CQSQXIFTOYWBEF-UHFFFAOYSA-N
Compound name
4-[2-amino-6-(4-methylphenyl)pyrimidin-4-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

277.12152 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.12880 165.9
[M+Na]+ 300.11074 175.0
[M-H]- 276.11424 172.0
[M+NH4]+ 295.15534 178.0
[M+K]+ 316.08468 168.4
[M+H-H2O]+ 260.11878 156.0
[M+HCOO]- 322.11972 186.9
[M+CH3COO]- 336.13537 177.0
[M+Na-2H]- 298.09619 171.0
[M]+ 277.12097 163.9
[M]- 277.12207 163.9
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.