CID 406114

87540-94-1

Structural Information

Molecular Formula
C16H12N4O2
SMILES
COC1=CC=C(C=C1)C2=NN=C3N2NC(=O)C4=CC=CC=C43
InChI
InChI=1S/C16H12N4O2/c1-22-11-8-6-10(7-9-11)14-17-18-15-12-4-2-3-5-13(12)16(21)19-20(14)15/h2-9H,1H3,(H,19,21)
InChIKey
IJIKKYUDVPQLGL-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenyl)-5H-[1,2,4]triazolo[3,4-a]phthalazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

292.09604 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.10332 166.4
[M+Na]+ 315.08526 183.9
[M+NH4]+ 310.12986 173.8
[M+K]+ 331.05920 177.7
[M-H]- 291.08876 169.3
[M+Na-2H]- 313.07071 174.7
[M]+ 292.09549 169.8
[M]- 292.09659 169.8
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

patents stripe