CID 58943181

2-(3-bromophenyl)-4,6-diphenylpyrimidine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

389
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

No literature data available for this compound.

Patent stripe

patents stripe