CID 11265103

Pyrimidine, 4-methyl-2,6-diphenyl-

Structural Information

Molecular Formula
C17H14N2
SMILES
CC1=CC(=NC(=N1)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C17H14N2/c1-13-12-16(14-8-4-2-5-9-14)19-17(18-13)15-10-6-3-7-11-15/h2-12H,1H3
InChIKey
CIFNETAIIQECIJ-UHFFFAOYSA-N
Compound name
4-methyl-2,6-diphenylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

569
Patents

246.11569 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.122966 156.9
[M+Na]+ 269.104908 165.5
[M-H]- 245.108414 164.0
[M+NH4]+ 264.149513 171.0
[M+K]+ 285.078848 159.5
[M+H-H2O]+ 229.112950 146.7
[M+HCOO]- 291.113891 178.8
[M+CH3COO]- 305.129541 169.0
[M+Na-2H]- 267.090356 164.5
[M]+ 246.11514142 156.0
[M]- 246.11623858 156.0
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

patents stripe