CID 58943302

2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine

Structural Information

Molecular Formula
C21H14BrN3
SMILES
C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC(=CC=C3)Br)C4=CC=CC=C4
InChI
InChI=1S/C21H14BrN3/c22-18-13-7-12-17(14-18)21-24-19(15-8-3-1-4-9-15)23-20(25-21)16-10-5-2-6-11-16/h1-14H
InChIKey
HNZUKQQNZRMNGS-UHFFFAOYSA-N
Compound name
2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2278
Patents

387.0371 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.04438 182.1
[M+Na]+ 410.02632 192.1
[M+NH4]+ 405.07092 187.4
[M+K]+ 426.00026 187.7
[M-H]- 386.02982 188.5
[M+Na-2H]- 408.01177 193.0
[M]+ 387.03655 184.7
[M]- 387.03765 184.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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