CID 3079194

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

Structural Information

Molecular Formula
C15H10N4O
SMILES
C1=CC=C(C=C1)N2C(=O)N3C(=N2)C4=CC=CC=C4C=N3
InChI
InChI=1S/C15H10N4O/c20-15-18(12-7-2-1-3-8-12)17-14-13-9-5-4-6-11(13)10-16-19(14)15/h1-10H
InChIKey
KFPYRKKORQVSBJ-UHFFFAOYSA-N
Compound name
2-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.08545 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.09273 158.4
[M+Na]+ 285.07467 171.3
[M-H]- 261.07817 162.8
[M+NH4]+ 280.11927 173.4
[M+K]+ 301.04861 164.5
[M+H-H2O]+ 245.08271 148.0
[M+HCOO]- 307.08365 178.9
[M+CH3COO]- 321.09930 170.9
[M+Na-2H]- 283.06012 167.4
[M]+ 262.08490 161.2
[M]- 262.08600 161.2
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.