CID 901662

2,4-di-tert-butoxy-5-(pyridin-3-yl)pyrimidine

Structural Information

Molecular Formula
C17H23N3O2
SMILES
CC(C)(C)OC1=NC(=NC=C1C2=CN=CC=C2)OC(C)(C)C
InChI
InChI=1S/C17H23N3O2/c1-16(2,3)21-14-13(12-8-7-9-18-10-12)11-19-15(20-14)22-17(4,5)6/h7-11H,1-6H3
InChIKey
INNKLQNKYMJPPK-UHFFFAOYSA-N
Compound name
2,4-bis[(2-methylpropan-2-yl)oxy]-5-pyridin-3-ylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.17902 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.186296 176.0
[M+Na]+ 324.168238 184.0
[M-H]- 300.171744 179.0
[M+NH4]+ 319.212843 187.4
[M+K]+ 340.142178 180.8
[M+H-H2O]+ 284.176280 166.6
[M+HCOO]- 346.177221 192.4
[M+CH3COO]- 360.192871 205.1
[M+Na-2H]- 322.153686 182.7
[M]+ 301.17847142 179.9
[M]- 301.17956858 179.9
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.