CID 15958135

Schembl4709153

Structural Information

Molecular Formula
C17H17N3O3
SMILES
C1CCC(CC1)C2=C(C=NC3=C(C=NN23)C(=O)O)C4=COC=C4
InChI
InChI=1S/C17H17N3O3/c21-17(22)14-9-19-20-15(11-4-2-1-3-5-11)13(8-18-16(14)20)12-6-7-23-10-12/h6-11H,1-5H2,(H,21,22)
InChIKey
AHSFJXPGRJBQSH-UHFFFAOYSA-N
Compound name
7-cyclohexyl-6-(furan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

311.12698 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.13426 169.7
[M+Na]+ 334.11620 177.3
[M-H]- 310.11970 176.4
[M+NH4]+ 329.16080 182.2
[M+K]+ 350.09014 173.8
[M+H-H2O]+ 294.12424 160.6
[M+HCOO]- 356.12518 186.2
[M+CH3COO]- 370.14083 180.3
[M+Na-2H]- 332.10165 170.2
[M]+ 311.12643 169.2
[M]- 311.12753 169.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe