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

13
Patents

387.1583 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.16558 190.0
[M+Na]+ 410.14752 196.9
[M-H]- 386.15102 199.7
[M+NH4]+ 405.19212 199.0
[M+K]+ 426.12146 191.7
[M+H-H2O]+ 370.15556 179.5
[M+HCOO]- 432.15650 205.5
[M+CH3COO]- 446.17215 199.1
[M+Na-2H]- 408.13297 188.6
[M]+ 387.15775 189.2
[M]- 387.15885 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