CID 58382615

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

Structural Information

Molecular Formula
C21H13Br2N3
SMILES
C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC(=CC(=C3)Br)Br)C4=CC=CC=C4
InChI
InChI=1S/C21H13Br2N3/c22-17-11-16(12-18(23)13-17)21-25-19(14-7-3-1-4-8-14)24-20(26-21)15-9-5-2-6-10-15/h1-13H
InChIKey
DRQMSTXYCLCAHO-UHFFFAOYSA-N
Compound name
2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

121
Patents

464.94763 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.95491 178.4
[M+Na]+ 487.93685 187.9
[M-H]- 463.94035 188.7
[M+NH4]+ 482.98145 188.4
[M+K]+ 503.91079 172.3
[M+H-H2O]+ 447.94489 184.3
[M+HCOO]- 509.94583 191.6
[M+CH3COO]- 523.96148 189.4
[M+Na-2H]- 485.92230 184.9
[M]+ 464.94708 211.3
[M]- 464.94818 211.3
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