CID 359838

Mls000090090

Structural Information

Molecular Formula
C16H13N3O
SMILES
C1=CC=C(C=C1)C2=CC(=NC(=N2)N)C3=CC=CC=C3O
InChI
InChI=1S/C16H13N3O/c17-16-18-13(11-6-2-1-3-7-11)10-14(19-16)12-8-4-5-9-15(12)20/h1-10,20H,(H2,17,18,19)
InChIKey
SXELSOZGQKZOPI-UHFFFAOYSA-N
Compound name
2-(2-amino-6-phenylpyrimidin-4-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

263.10587 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.11315 160.7
[M+Na]+ 286.09509 169.3
[M-H]- 262.09859 166.5
[M+NH4]+ 281.13969 173.0
[M+K]+ 302.06903 162.8
[M+H-H2O]+ 246.10313 150.8
[M+HCOO]- 308.10407 182.1
[M+CH3COO]- 322.11972 171.9
[M+Na-2H]- 284.08054 167.2
[M]+ 263.10532 157.9
[M]- 263.10642 157.9
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.