CID 3071189

Brn 6420439

Structural Information

Molecular Formula
C16H13N5
SMILES
CNC1=NN2C(=NN=C2C3=CC=CC=C31)C4=CC=CC=C4
InChI
InChI=1S/C16H13N5/c1-17-14-12-9-5-6-10-13(12)16-19-18-15(21(16)20-14)11-7-3-2-4-8-11/h2-10H,1H3,(H,17,20)
InChIKey
GLRABDXTKZYASM-UHFFFAOYSA-N
Compound name
N-methyl-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

275.1171 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.12438 162.5
[M+Na]+ 298.10632 173.9
[M-H]- 274.10982 166.7
[M+NH4]+ 293.15092 176.7
[M+K]+ 314.08026 166.8
[M+H-H2O]+ 258.11436 151.8
[M+HCOO]- 320.11530 183.4
[M+CH3COO]- 334.13095 174.2
[M+Na-2H]- 296.09177 171.9
[M]+ 275.11655 164.4
[M]- 275.11765 164.4
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.