CID 3008442

5-methyl-2,4-diphenoxy-pyrimidine

Structural Information

Molecular Formula
C17H14N2O2
SMILES
CC1=CN=C(N=C1OC2=CC=CC=C2)OC3=CC=CC=C3
InChI
InChI=1S/C17H14N2O2/c1-13-12-18-17(21-15-10-6-3-7-11-15)19-16(13)20-14-8-4-2-5-9-14/h2-12H,1H3
InChIKey
PKUIERHEKOUWQG-UHFFFAOYSA-N
Compound name
5-methyl-2,4-diphenoxypyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

278.10553 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.11281 163.8
[M+Na]+ 301.09475 172.0
[M-H]- 277.09825 170.8
[M+NH4]+ 296.13935 176.3
[M+K]+ 317.06869 167.3
[M+H-H2O]+ 261.10279 152.9
[M+HCOO]- 323.10373 186.0
[M+CH3COO]- 337.11938 175.4
[M+Na-2H]- 299.08020 171.3
[M]+ 278.10498 165.5
[M]- 278.10608 165.5
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.