CID 3079200

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

Structural Information

Molecular Formula
C16H12N4O2
SMILES
COC1=CC=C(C=C1)N2C(=O)N3C(=N2)C4=CC=CC=C4C=N3
InChI
InChI=1S/C16H12N4O2/c1-22-13-8-6-12(7-9-13)19-16(21)20-15(18-19)14-5-3-2-4-11(14)10-17-20/h2-10H,1H3
InChIKey
YSWIMZMBBZSYDI-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.09604 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.10332 166.8
[M+Na]+ 315.08526 179.9
[M-H]- 291.08876 171.5
[M+NH4]+ 310.12986 180.7
[M+K]+ 331.05920 173.5
[M+H-H2O]+ 275.09330 156.3
[M+HCOO]- 337.09424 187.1
[M+CH3COO]- 351.10989 179.0
[M+Na-2H]- 313.07071 174.5
[M]+ 292.09549 171.7
[M]- 292.09659 171.7
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.