CID 15957951

Schembl14014472

Structural Information

Molecular Formula
C20H20N4O
SMILES
COC1=CC=C(C=C1)C2=C(N3C(=C(C=N3)C#N)N=C2)C4CCCCC4
InChI
InChI=1S/C20H20N4O/c1-25-17-9-7-14(8-10-17)18-13-22-20-16(11-21)12-23-24(20)19(18)15-5-3-2-4-6-15/h7-10,12-13,15H,2-6H2,1H3
InChIKey
MUNOXEGXKKGLQM-UHFFFAOYSA-N
Compound name
7-cyclohexyl-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

332.1637 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.17098 178.9
[M+Na]+ 355.15292 189.1
[M-H]- 331.15642 182.5
[M+NH4]+ 350.19752 189.1
[M+K]+ 371.12686 179.6
[M+H-H2O]+ 315.16096 160.9
[M+HCOO]- 377.16190 192.5
[M+CH3COO]- 391.17755 186.9
[M+Na-2H]- 353.13837 180.3
[M]+ 332.16315 172.6
[M]- 332.16425 172.6
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