CID 90135706

1606981-69-4

Structural Information

Molecular Formula
C27H18BrN3
SMILES
C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC=CC(=C3)C4=CC(=CC=C4)Br)C5=CC=CC=C5
InChI
InChI=1S/C27H18BrN3/c28-24-16-8-14-22(18-24)21-13-7-15-23(17-21)27-30-25(19-9-3-1-4-10-19)29-26(31-27)20-11-5-2-6-12-20/h1-18H
InChIKey
PLXPMZVMTNSXBA-UHFFFAOYSA-N
Compound name
2-[3-(3-bromophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

216
Patents

463.06842 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.07570 207.7
[M+Na]+ 486.05764 217.3
[M-H]- 462.06114 220.3
[M+NH4]+ 481.10224 214.5
[M+K]+ 502.03158 202.3
[M+H-H2O]+ 446.06568 201.4
[M+HCOO]- 508.06662 223.9
[M+CH3COO]- 522.08227 217.2
[M+Na-2H]- 484.04309 213.1
[M]+ 463.06787 223.5
[M]- 463.06897 223.5
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