CID 15958137

Schembl14014935

Structural Information

Molecular Formula
C20H19N3O4
SMILES
C1CCC(CC1)C2=C(C=NC3=C(C=NN23)C(=O)O)C4=CC5=C(C=C4)OCO5
InChI
InChI=1S/C20H19N3O4/c24-20(25)15-10-22-23-18(12-4-2-1-3-5-12)14(9-21-19(15)23)13-6-7-16-17(8-13)27-11-26-16/h6-10,12H,1-5,11H2,(H,24,25)
InChIKey
LFHPWZDMSONTMW-UHFFFAOYSA-N
Compound name
6-(1,3-benzodioxol-5-yl)-7-cyclohexylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

365.13754 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.14482 182.2
[M+Na]+ 388.12676 189.6
[M-H]- 364.13026 190.2
[M+NH4]+ 383.17136 192.0
[M+K]+ 404.10070 186.7
[M+H-H2O]+ 348.13480 173.1
[M+HCOO]- 410.13574 195.0
[M+CH3COO]- 424.15139 191.7
[M+Na-2H]- 386.11221 182.2
[M]+ 365.13699 182.5
[M]- 365.13809 182.5
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