CID 10000277

Schembl4707738

Structural Information

Molecular Formula
C23H21N3O3
SMILES
C1CCC(CC1)C2=C(C=NC3=C(C=NN23)C(=O)O)C4=CC=C(C=C4)C5=COC=C5
InChI
InChI=1S/C23H21N3O3/c27-23(28)20-13-25-26-21(17-4-2-1-3-5-17)19(12-24-22(20)26)16-8-6-15(7-9-16)18-10-11-29-14-18/h6-14,17H,1-5H2,(H,27,28)
InChIKey
KBDAQDMKOPMOAD-UHFFFAOYSA-N
Compound name
7-cyclohexyl-6-[4-(furan-3-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

387.1583 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.165576 190.0
[M+Na]+ 410.147518 196.9
[M-H]- 386.151024 199.7
[M+NH4]+ 405.192123 199.0
[M+K]+ 426.121458 191.7
[M+H-H2O]+ 370.155560 179.5
[M+HCOO]- 432.156501 205.5
[M+CH3COO]- 446.172151 199.1
[M+Na-2H]- 408.132966 188.6
[M]+ 387.15775142 189.2
[M]- 387.15884858 189.2
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