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

283
Patents

386.04187 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.049146 185.3
[M+Na]+ 409.031088 195.8
[M-H]- 385.034594 197.1
[M+NH4]+ 404.075693 197.3
[M+K]+ 425.005028 181.8
[M+H-H2O]+ 369.039130 181.3
[M+HCOO]- 431.040071 204.0
[M+CH3COO]- 445.055721 197.1
[M+Na-2H]- 407.016536 192.2
[M]+ 386.04132142 202.1
[M]- 386.04241858 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