CID 15958260

6-cyclohexyl-5-furan-2-yl-7-oxo-4,7-dihydro-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid methyl ester

Structural Information

Molecular Formula
C18H19N3O4
SMILES
COC(=O)C1=CC2=NC(=C(C(=O)N2N1)C3CCCCC3)C4=CC=CO4
InChI
InChI=1S/C18H19N3O4/c1-24-18(23)12-10-14-19-16(13-8-5-9-25-13)15(17(22)21(14)20-12)11-6-3-2-4-7-11/h5,8-11,20H,2-4,6-7H2,1H3
InChIKey
OYZGCPBZPRNPKT-UHFFFAOYSA-N
Compound name
methyl 6-cyclohexyl-5-(furan-2-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

341.13754 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.14482 177.3
[M+Na]+ 364.12676 185.5
[M-H]- 340.13026 184.3
[M+NH4]+ 359.17136 188.9
[M+K]+ 380.10070 181.8
[M+H-H2O]+ 324.13480 168.4
[M+HCOO]- 386.13574 193.8
[M+CH3COO]- 400.15139 187.7
[M+Na-2H]- 362.11221 176.7
[M]+ 341.13699 178.2
[M]- 341.13809 178.2
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