CID 89992073

1421599-34-9

Structural Information

Molecular Formula
C28H19BrN2
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC(=NC(=N3)C4=CC=CC=C4)C5=CC=C(C=C5)Br
InChI
InChI=1S/C28H19BrN2/c29-25-17-15-23(16-18-25)27-19-26(30-28(31-27)24-9-5-2-6-10-24)22-13-11-21(12-14-22)20-7-3-1-4-8-20/h1-19H
InChIKey
VSCGHXGRCSQGIE-UHFFFAOYSA-N
Compound name
4-(4-bromophenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

141
Patents

462.07315 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.08043 209.3
[M+Na]+ 485.06237 218.5
[M-H]- 461.06587 223.0
[M+NH4]+ 480.10697 217.5
[M+K]+ 501.03631 203.8
[M+H-H2O]+ 445.07041 203.5
[M+HCOO]- 507.07135 226.4
[M+CH3COO]- 521.08700 219.0
[M+Na-2H]- 483.04782 213.9
[M]+ 462.07260 224.9
[M]- 462.07370 224.9
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