CID 15958128

Schembl14014919

Structural Information

Molecular Formula
C21H19N3O3
SMILES
C1CCC(CC1)C2=C(C=NC3=CC(=NN32)C(=O)O)C4=CC5=C(C=C4)OC=C5
InChI
InChI=1S/C21H19N3O3/c25-21(26)17-11-19-22-12-16(14-6-7-18-15(10-14)8-9-27-18)20(24(19)23-17)13-4-2-1-3-5-13/h6-13H,1-5H2,(H,25,26)
InChIKey
RINGGGJCQRSIQM-UHFFFAOYSA-N
Compound name
6-(1-benzofuran-5-yl)-7-cyclohexylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

361.14264 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.14992 182.6
[M+Na]+ 384.13186 191.5
[M-H]- 360.13536 190.6
[M+NH4]+ 379.17646 194.1
[M+K]+ 400.10580 186.4
[M+H-H2O]+ 344.13990 173.0
[M+HCOO]- 406.14084 198.6
[M+CH3COO]- 420.15649 192.7
[M+Na-2H]- 382.11731 183.6
[M]+ 361.14209 183.9
[M]- 361.14319 183.9
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