CID 6406861

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.0371 Da
Monoisotopic Mass

4.9
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.