CID 3070764

1,2,4-triazolo(4,3-b)-1,2,4-triazine, 3-isopropyl-6,7-diphenyl-

Structural Information

Molecular Formula
C19H17N5
SMILES
CC(C)C1=NN=C2N1N=C(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C19H17N5/c1-13(2)18-21-22-19-20-16(14-9-5-3-6-10-14)17(23-24(18)19)15-11-7-4-8-12-15/h3-13H,1-2H3
InChIKey
SZJDWUWRMHLJSR-UHFFFAOYSA-N
Compound name
6,7-diphenyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.1484 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.15568 176.7
[M+Na]+ 338.13762 187.1
[M-H]- 314.14112 181.4
[M+NH4]+ 333.18222 186.6
[M+K]+ 354.11156 179.4
[M+H-H2O]+ 298.14566 164.3
[M+HCOO]- 360.14660 194.4
[M+CH3COO]- 374.16225 186.8
[M+Na-2H]- 336.12307 181.8
[M]+ 315.14785 178.5
[M]- 315.14895 178.5
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.