CID 3008443

5-methyl-2,4-bis(4-methylphenoxy)pyrimidine

Structural Information

Molecular Formula
C19H18N2O2
SMILES
CC1=CC=C(C=C1)OC2=NC(=NC=C2C)OC3=CC=C(C=C3)C
InChI
InChI=1S/C19H18N2O2/c1-13-4-8-16(9-5-13)22-18-15(3)12-20-19(21-18)23-17-10-6-14(2)7-11-17/h4-12H,1-3H3
InChIKey
UILACSJYYLCHNX-UHFFFAOYSA-N
Compound name
5-methyl-2,4-bis(4-methylphenoxy)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

306.13684 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.14412 173.5
[M+Na]+ 329.12606 182.7
[M-H]- 305.12956 181.0
[M+NH4]+ 324.17066 185.5
[M+K]+ 345.10000 177.6
[M+H-H2O]+ 289.13410 162.5
[M+HCOO]- 351.13504 194.9
[M+CH3COO]- 365.15069 184.9
[M+Na-2H]- 327.11151 178.3
[M]+ 306.13629 176.7
[M]- 306.13739 176.7
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.