CID 23139721

4-(3,5-dibromophenyl)-2,6-diphenylpyrimidine

Structural Information

Molecular Formula
C22H14Br2N2
SMILES
C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=CC=C3)C4=CC(=CC(=C4)Br)Br
InChI
InChI=1S/C22H14Br2N2/c23-18-11-17(12-19(24)13-18)21-14-20(15-7-3-1-4-8-15)25-22(26-21)16-9-5-2-6-10-16/h1-14H
InChIKey
DLXBSWIBLRUGFU-UHFFFAOYSA-N
Compound name
4-(3,5-dibromophenyl)-2,6-diphenylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

463.95236 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.959636 181.7
[M+Na]+ 486.941578 191.0
[M-H]- 462.945084 192.9
[M+NH4]+ 481.986183 192.8
[M+K]+ 502.915518 175.4
[M+H-H2O]+ 446.949620 187.8
[M+HCOO]- 508.950561 195.6
[M+CH3COO]- 522.966211 192.9
[M+Na-2H]- 484.927026 187.4
[M]+ 463.95181142 214.5
[M]- 463.95290858 214.5
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