CID 3087234

Brn 6429317

Structural Information

Molecular Formula
C19H19N5
SMILES
CCCCNC1=NN2C(=NN=C2C3=CC=CC=C31)C4=CC=CC=C4
InChI
InChI=1S/C19H19N5/c1-2-3-13-20-17-15-11-7-8-12-16(15)19-22-21-18(24(19)23-17)14-9-5-4-6-10-14/h4-12H,2-3,13H2,1H3,(H,20,23)
InChIKey
RUBQVTXCUHTOEM-UHFFFAOYSA-N
Compound name
N-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

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.17131 175.8
[M+Na]+ 340.15325 185.8
[M-H]- 316.15675 179.4
[M+NH4]+ 335.19785 188.2
[M+K]+ 356.12719 178.0
[M+H-H2O]+ 300.16129 164.4
[M+HCOO]- 362.16223 195.6
[M+CH3COO]- 376.17788 186.1
[M+Na-2H]- 338.13870 183.5
[M]+ 317.16348 178.6
[M]- 317.16458 178.6
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.