CID 3071405

Pyrazolo(1,5-a)pyrimidine-6-carboxamide, 1,7-dihydro-7-oxo-1-phenyl-n-2-pyridinyl-

Structural Information

Molecular Formula
C18H13N5O2
SMILES
C1=CC=C(C=C1)N2C=CC3=NC=C(C(=O)N32)C(=O)NC4=CC=CC=N4
InChI
InChI=1S/C18H13N5O2/c24-17(21-15-8-4-5-10-19-15)14-12-20-16-9-11-22(23(16)18(14)25)13-6-2-1-3-7-13/h1-12H,(H,19,21,24)
InChIKey
CGNFVIVDXWTWEF-UHFFFAOYSA-N
Compound name
7-oxo-1-phenyl-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

331.10693 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.11421 175.2
[M+Na]+ 354.09615 185.4
[M-H]- 330.09965 181.9
[M+NH4]+ 349.14075 185.4
[M+K]+ 370.07009 178.6
[M+H-H2O]+ 314.10419 163.6
[M+HCOO]- 376.10513 196.6
[M+CH3COO]- 390.12078 186.0
[M+Na-2H]- 352.08160 182.1
[M]+ 331.10638 177.1
[M]- 331.10748 177.1
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