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

48
Patents

463.95236 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.95964 181.7
[M+Na]+ 486.94158 191.0
[M-H]- 462.94508 192.9
[M+NH4]+ 481.98618 192.8
[M+K]+ 502.91552 175.4
[M+H-H2O]+ 446.94962 187.8
[M+HCOO]- 508.95056 195.6
[M+CH3COO]- 522.96621 192.9
[M+Na-2H]- 484.92703 187.4
[M]+ 463.95181 214.5
[M]- 463.95291 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