CID 3008437

2,4-bis(4-methylphenoxy)pyrimidine

Structural Information

Molecular Formula
C18H16N2O2
SMILES
CC1=CC=C(C=C1)OC2=NC(=NC=C2)OC3=CC=C(C=C3)C
InChI
InChI=1S/C18H16N2O2/c1-13-3-7-15(8-4-13)21-17-11-12-19-18(20-17)22-16-9-5-14(2)6-10-16/h3-12H,1-2H3
InChIKey
RFXVMKCSFSKMFQ-UHFFFAOYSA-N
Compound name
2,4-bis(4-methylphenoxy)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

292.1212 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.128476 168.7
[M+Na]+ 315.110418 177.4
[M-H]- 291.113924 176.0
[M+NH4]+ 310.155023 181.0
[M+K]+ 331.084358 172.5
[M+H-H2O]+ 275.118460 157.8
[M+HCOO]- 337.119401 190.5
[M+CH3COO]- 351.135051 180.2
[M+Na-2H]- 313.095866 174.8
[M]+ 292.12065142 171.1
[M]- 292.12174858 171.1
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.