CID 817533

4-bromo-2,6-diphenylpyrimidine

Structural Information

Molecular Formula
C16H11BrN2
SMILES
C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=CC=C3)Br
InChI
InChI=1S/C16H11BrN2/c17-15-11-14(12-7-3-1-4-8-12)18-16(19-15)13-9-5-2-6-10-13/h1-11H
InChIKey
IJXDLFJKGQNBEJ-UHFFFAOYSA-N
Compound name
4-bromo-2,6-diphenylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

339
Patents

310.01056 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.01784 160.8
[M+Na]+ 332.99978 169.2
[M+NH4]+ 328.04438 166.7
[M+K]+ 348.97372 165.9
[M-H]- 309.00328 165.7
[M+Na-2H]- 330.98523 170.3
[M]+ 310.01001 162.6
[M]- 310.01111 162.6
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

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