CID 15958126

Schembl14014914

Structural Information

Molecular Formula
C23H23N3O3
SMILES
CCC1=CC2=C(O1)C=CC(=C2)C3=C(N4C(=C(C=N4)C(=O)O)N=C3)C5CCCCC5
InChI
InChI=1S/C23H23N3O3/c1-2-17-11-16-10-15(8-9-20(16)29-17)18-12-24-22-19(23(27)28)13-25-26(22)21(18)14-6-4-3-5-7-14/h8-14H,2-7H2,1H3,(H,27,28)
InChIKey
QQTIZVPYPBVVJS-UHFFFAOYSA-N
Compound name
7-cyclohexyl-6-(2-ethyl-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

389.17395 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.18123 192.7
[M+Na]+ 412.16317 201.5
[M-H]- 388.16667 200.8
[M+NH4]+ 407.20777 203.3
[M+K]+ 428.13711 196.0
[M+H-H2O]+ 372.17121 183.0
[M+HCOO]- 434.17215 208.0
[M+CH3COO]- 448.18780 202.2
[M+Na-2H]- 410.14862 191.9
[M]+ 389.17340 195.0
[M]- 389.17450 195.0
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