CID 15957950

Schembl14014470

Structural Information

Molecular Formula
C22H25N3O3
SMILES
CCOC(=O)C1=C2N=CC(=C(N2N=C1)C3CCCCC3)C4=CC=C(C=C4)OC
InChI
InChI=1S/C22H25N3O3/c1-3-28-22(26)19-14-24-25-20(16-7-5-4-6-8-16)18(13-23-21(19)25)15-9-11-17(27-2)12-10-15/h9-14,16H,3-8H2,1-2H3
InChIKey
YOBGTKCEZQHDSN-UHFFFAOYSA-N
Compound name
ethyl 7-cyclohexyl-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

379.1896 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.19688 192.5
[M+Na]+ 402.17882 199.1
[M-H]- 378.18232 198.9
[M+NH4]+ 397.22342 202.4
[M+K]+ 418.15276 193.8
[M+H-H2O]+ 362.18686 180.8
[M+HCOO]- 424.18780 208.5
[M+CH3COO]- 438.20345 201.3
[M+Na-2H]- 400.16427 192.6
[M]+ 379.18905 193.9
[M]- 379.19015 193.9
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