CID 609721

2-(4-bromophenyl)-4,6-diphenylpyrimidine

Structural Information

Molecular Formula
C22H15BrN2
SMILES
C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=C(C=C3)Br)C4=CC=CC=C4
InChI
InChI=1S/C22H15BrN2/c23-19-13-11-18(12-14-19)22-24-20(16-7-3-1-4-8-16)15-21(25-22)17-9-5-2-6-10-17/h1-15H
InChIKey
QLYUAISAKGDXCW-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)-4,6-diphenylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

314
Patents

386.04187 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.04915 185.3
[M+Na]+ 409.03109 195.8
[M-H]- 385.03459 197.1
[M+NH4]+ 404.07569 197.3
[M+K]+ 425.00503 181.8
[M+H-H2O]+ 369.03913 181.3
[M+HCOO]- 431.04007 204.0
[M+CH3COO]- 445.05572 197.1
[M+Na-2H]- 407.01654 192.2
[M]+ 386.04132 202.1
[M]- 386.04242 202.1
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

patents stripe