CID 3079195

1,2,4-triazolo(3,4-a)phthalazin-3(2h)-one, 2-(3-chlorophenyl)-

Structural Information

Molecular Formula
C15H9ClN4O
SMILES
C1=CC=C2C(=C1)C=NN3C2=NN(C3=O)C4=CC(=CC=C4)Cl
InChI
InChI=1S/C15H9ClN4O/c16-11-5-3-6-12(8-11)19-15(21)20-14(18-19)13-7-2-1-4-10(13)9-17-20/h1-9H
InChIKey
IXIRYDDNFXXPGK-UHFFFAOYSA-N
Compound name
2-(3-chlorophenyl)-[1,2,4]triazolo[3,4-a]phthalazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.04648 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.05376 163.9
[M+Na]+ 319.03570 183.5
[M+NH4]+ 314.08030 172.8
[M+K]+ 335.00964 175.8
[M-H]- 295.03920 167.9
[M+Na-2H]- 317.02115 173.7
[M]+ 296.04593 168.4
[M]- 296.04703 168.4
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.