CID 15958129

Schembl14014921

Structural Information

Molecular Formula
C22H20N4O2
SMILES
C1CCC(CC1)C2=C(C=NC3=C(C=NN23)C(=O)O)C4=CC5=C(C=C4)N=CC=C5
InChI
InChI=1S/C22H20N4O2/c27-22(28)18-13-25-26-20(14-5-2-1-3-6-14)17(12-24-21(18)26)15-8-9-19-16(11-15)7-4-10-23-19/h4,7-14H,1-3,5-6H2,(H,27,28)
InChIKey
MGPUAXOUEXIGBU-UHFFFAOYSA-N
Compound name
7-cyclohexyl-6-quinolin-6-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

372.15863 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.16591 189.3
[M+Na]+ 395.14785 196.8
[M-H]- 371.15135 194.1
[M+NH4]+ 390.19245 198.0
[M+K]+ 411.12179 189.0
[M+H-H2O]+ 355.15589 177.0
[M+HCOO]- 417.15683 201.8
[M+CH3COO]- 431.17248 197.2
[M+Na-2H]- 393.13330 191.6
[M]+ 372.15808 186.8
[M]- 372.15918 186.8
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