CID 3079196

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

Structural Information

Molecular Formula
C15H9ClN4O
SMILES
C1=CC=C2C(=C1)C=NN3C2=NN(C3=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C15H9ClN4O/c16-11-5-7-12(8-6-11)19-15(21)20-14(18-19)13-4-2-1-3-10(13)9-17-20/h1-9H
InChIKey
UCYOBWPTRAXKIK-UHFFFAOYSA-N
Compound name
2-(4-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 165.3
[M+Na]+ 319.03570 179.7
[M-H]- 295.03920 169.6
[M+NH4]+ 314.08030 180.0
[M+K]+ 335.00964 171.7
[M+H-H2O]+ 279.04374 155.0
[M+HCOO]- 341.04468 181.0
[M+CH3COO]- 355.06033 177.6
[M+Na-2H]- 317.02115 172.8
[M]+ 296.04593 170.5
[M]- 296.04703 170.5
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.