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

literature stripe

Patent stripe

patents stripe