CID 3071193

Brn 6428909

Structural Information

Molecular Formula
C19H19N5
SMILES
CC(C)(C)NC1=NN2C(=NN=C2C3=CC=CC=C31)C4=CC=CC=C4
InChI
InChI=1S/C19H19N5/c1-19(2,3)20-16-14-11-7-8-12-15(14)18-22-21-17(24(18)23-16)13-9-5-4-6-10-13/h4-12H,1-3H3,(H,20,23)
InChIKey
LEAATZOQNAZGGT-UHFFFAOYSA-N
Compound name
N-tert-butyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

317.16403 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.17131 179.1
[M+Na]+ 340.15325 189.6
[M-H]- 316.15675 183.3
[M+NH4]+ 335.19785 191.8
[M+K]+ 356.12719 182.4
[M+H-H2O]+ 300.16129 168.5
[M+HCOO]- 362.16223 197.3
[M+CH3COO]- 376.17788 189.6
[M+Na-2H]- 338.13870 187.6
[M]+ 317.16348 181.4
[M]- 317.16458 181.4
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

No patent data available for this compound.