CID 3007581

107658-96-8

Structural Information

Molecular Formula
C15H13N5O2
SMILES
C1=CC=NC(=C1)C(=O)C(CN2C=NC=N2)(C3=CC=CC=N3)O
InChI
InChI=1S/C15H13N5O2/c21-14(12-5-1-3-7-17-12)15(22,9-20-11-16-10-19-20)13-6-2-4-8-18-13/h1-8,10-11,22H,9H2
InChIKey
QKIHBOAEBBTGJI-UHFFFAOYSA-N
Compound name
2-hydroxy-1,2-dipyridin-2-yl-3-(1,2,4-triazol-1-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

295.10693 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.11421 167.0
[M+Na]+ 318.09615 173.9
[M-H]- 294.09965 169.0
[M+NH4]+ 313.14075 175.3
[M+K]+ 334.07009 168.8
[M+H-H2O]+ 278.10419 155.6
[M+HCOO]- 340.10513 182.6
[M+CH3COO]- 354.12078 176.2
[M+Na-2H]- 316.08160 173.5
[M]+ 295.10638 166.0
[M]- 295.10748 166.0
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.