CID 3008436

2,4-diphenoxypyrimidine

Structural Information

Molecular Formula
C16H12N2O2
SMILES
C1=CC=C(C=C1)OC2=NC(=NC=C2)OC3=CC=CC=C3
InChI
InChI=1S/C16H12N2O2/c1-3-7-13(8-4-1)19-15-11-12-17-16(18-15)20-14-9-5-2-6-10-14/h1-12H
InChIKey
LLUGOATVEGVYDT-UHFFFAOYSA-N
Compound name
2,4-diphenoxypyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

264.08987 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.097146 158.8
[M+Na]+ 287.079088 166.6
[M-H]- 263.082594 165.6
[M+NH4]+ 282.123693 171.6
[M+K]+ 303.053028 162.0
[M+H-H2O]+ 247.087130 148.0
[M+HCOO]- 309.088071 181.3
[M+CH3COO]- 323.103721 170.5
[M+Na-2H]- 285.064536 167.6
[M]+ 264.08932142 159.7
[M]- 264.09041858 159.7
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