CID 12689834

2-(2-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=C3Br)C4=CC=CC=C4
InChI
InChI=1S/C21H14BrN3/c22-18-14-8-7-13-17(18)21-24-19(15-9-3-1-4-10-15)23-20(25-21)16-11-5-2-6-12-16/h1-14H
InChIKey
MSTJGWCHJCZPEQ-UHFFFAOYSA-N
Compound name
2-(2-bromophenyl)-4,6-diphenyl-1,3,5-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

199
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 184.0
[M+Na]+ 410.02632 194.8
[M-H]- 386.02982 194.5
[M+NH4]+ 405.07092 194.5
[M+K]+ 426.00026 180.6
[M+H-H2O]+ 370.03436 179.4
[M+HCOO]- 432.03530 201.7
[M+CH3COO]- 446.05095 195.5
[M+Na-2H]- 408.01177 191.5
[M]+ 387.03655 200.9
[M]- 387.03765 200.9
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

patents stripe