CID 15958138

Schembl14014939

Structural Information

Molecular Formula
C21H23N3O4
SMILES
COC1=C(C=C(C=C1)C2=C(N3C(=C(C=N3)C(=O)O)N=C2)C4CCCCC4)OC
InChI
InChI=1S/C21H23N3O4/c1-27-17-9-8-14(10-18(17)28-2)15-11-22-20-16(21(25)26)12-23-24(20)19(15)13-6-4-3-5-7-13/h8-13H,3-7H2,1-2H3,(H,25,26)
InChIKey
SZBRCHYBYUJRAX-UHFFFAOYSA-N
Compound name
7-cyclohexyl-6-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

381.16885 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.17613 190.7
[M+Na]+ 404.15807 197.9
[M-H]- 380.16157 196.4
[M+NH4]+ 399.20267 200.0
[M+K]+ 420.13201 192.9
[M+H-H2O]+ 364.16611 179.8
[M+HCOO]- 426.16705 205.8
[M+CH3COO]- 440.18270 199.5
[M+Na-2H]- 402.14352 190.5
[M]+ 381.16830 192.1
[M]- 381.16940 192.1
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