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]+ 293.12848 168.7
[M+Na]+ 315.11042 177.4
[M-H]- 291.11392 176.0
[M+NH4]+ 310.15502 181.0
[M+K]+ 331.08436 172.5
[M+H-H2O]+ 275.11846 157.8
[M+HCOO]- 337.11940 190.5
[M+CH3COO]- 351.13505 180.2
[M+Na-2H]- 313.09587 174.8
[M]+ 292.12065 171.1
[M]- 292.12175 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.