CID 6409950

3,5,6-triphenyl-1,2,4-triazine

Structural Information

Molecular Formula
C21H15N3
SMILES
C1=CC=C(C=C1)C2=C(N=NC(=N2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C21H15N3/c1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)23-24-21(22-19)18-14-8-3-9-15-18/h1-15H
InChIKey
IMJWQBWRRPZDAZ-UHFFFAOYSA-N
Compound name
3,5,6-triphenyl-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

309.1266 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.13388 175.2
[M+Na]+ 332.11582 183.1
[M-H]- 308.11932 183.2
[M+NH4]+ 327.16042 184.3
[M+K]+ 348.08976 174.9
[M+H-H2O]+ 292.12386 162.2
[M+HCOO]- 354.12480 195.0
[M+CH3COO]- 368.14045 185.1
[M+Na-2H]- 330.10127 182.8
[M]+ 309.12605 172.9
[M]- 309.12715 172.9
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.