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]+ 316.155676 176.7
[M+Na]+ 338.137618 187.1
[M-H]- 314.141124 181.4
[M+NH4]+ 333.182223 186.6
[M+K]+ 354.111558 179.4
[M+H-H2O]+ 298.145660 164.3
[M+HCOO]- 360.146601 194.4
[M+CH3COO]- 374.162251 186.8
[M+Na-2H]- 336.123066 181.8
[M]+ 315.14785142 178.5
[M]- 315.14894858 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.