CID 3071407

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

Structural Information

Molecular Formula
C18H12ClN5O2
SMILES
C1=CC=C(C=C1)N2C=CC3=NC=C(C(=O)N32)C(=O)NC4=NC=C(C=C4)Cl
InChI
InChI=1S/C18H12ClN5O2/c19-12-6-7-15(20-10-12)22-17(25)14-11-21-16-8-9-23(24(16)18(14)26)13-4-2-1-3-5-13/h1-11H,(H,20,22,25)
InChIKey
QEBWDCWLZBMDQO-UHFFFAOYSA-N
Compound name
N-(5-chloropyridin-2-yl)-7-oxo-1-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.06796 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.07524 182.2
[M+Na]+ 388.05718 193.9
[M-H]- 364.06068 188.8
[M+NH4]+ 383.10178 192.1
[M+K]+ 404.03112 186.0
[M+H-H2O]+ 348.06522 170.7
[M+HCOO]- 410.06616 198.8
[M+CH3COO]- 424.08181 192.8
[M+Na-2H]- 386.04263 187.6
[M]+ 365.06741 186.7
[M]- 365.06851 186.7
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.