CID 3071415

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

Structural Information

Molecular Formula
C20H17N5O2
SMILES
CCC1=C(C(=O)N2C(=N1)C=CN2C3=CC=CC=C3)C(=O)NC4=CC=CC=N4
InChI
InChI=1S/C20H17N5O2/c1-2-15-18(19(26)23-16-10-6-7-12-21-16)20(27)25-17(22-15)11-13-24(25)14-8-4-3-5-9-14/h3-13H,2H2,1H3,(H,21,23,26)
InChIKey
PVCARFUEOTZAIC-UHFFFAOYSA-N
Compound name
5-ethyl-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

0
Patents

359.1382 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.14548 185.2
[M+Na]+ 382.12742 195.3
[M-H]- 358.13092 191.8
[M+NH4]+ 377.17202 194.5
[M+K]+ 398.10136 188.1
[M+H-H2O]+ 342.13546 173.3
[M+HCOO]- 404.13640 205.8
[M+CH3COO]- 418.15205 195.3
[M+Na-2H]- 380.11287 190.1
[M]+ 359.13765 188.0
[M]- 359.13875 188.0
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.