CID 146013896

2394829-81-1

Structural Information

Molecular Formula
C21H23N3O3
SMILES
CCOC(=O)C1=CNN2C1=NC(=CC2=O)C3=CC=C(C=C3)C4CCCCC4
InChI
InChI=1S/C21H23N3O3/c1-2-27-21(26)17-13-22-24-19(25)12-18(23-20(17)24)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h8-14,22H,2-7H2,1H3
InChIKey
UZWGGADMVWQUBB-UHFFFAOYSA-N
Compound name
ethyl 5-(4-cyclohexylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

365.17395 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.18123 187.8
[M+Na]+ 388.16317 201.8
[M+NH4]+ 383.20777 194.0
[M+K]+ 404.13711 196.4
[M-H]- 364.16667 191.5
[M+Na-2H]- 386.14862 194.6
[M]+ 365.17340 190.7
[M]- 365.17450 190.7
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

patents stripe