CID 15958182

Schembl14015003

Structural Information

Molecular Formula
C18H19N3O3
SMILES
CC1=NN2C(=C(C=NC2=C1C(=O)O)C3=COC=C3)C4CCCCC4
InChI
InChI=1S/C18H19N3O3/c1-11-15(18(22)23)17-19-9-14(13-7-8-24-10-13)16(21(17)20-11)12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H,22,23)
InChIKey
NLMADBYDZJAGOS-UHFFFAOYSA-N
Compound name
7-cyclohexyl-6-(furan-3-yl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

325.14264 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.14992 174.9
[M+Na]+ 348.13186 183.1
[M-H]- 324.13536 181.9
[M+NH4]+ 343.17646 187.2
[M+K]+ 364.10580 179.2
[M+H-H2O]+ 308.13990 166.0
[M+HCOO]- 370.14084 191.1
[M+CH3COO]- 384.15649 185.4
[M+Na-2H]- 346.11731 174.2
[M]+ 325.14209 175.3
[M]- 325.14319 175.3
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.