CID 15958014

Schembl4706818

Structural Information

Molecular Formula
C19H18N4O
SMILES
C1CCC(CC1)C2=C(C=NC3=C(C=NN23)C#N)C4=CC=C(C=C4)O
InChI
InChI=1S/C19H18N4O/c20-10-15-11-22-23-18(14-4-2-1-3-5-14)17(12-21-19(15)23)13-6-8-16(24)9-7-13/h6-9,11-12,14,24H,1-5H2
InChIKey
DETAYAKVHNUNNH-UHFFFAOYSA-N
Compound name
7-cyclohexyl-6-(4-hydroxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

318.14807 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.15535 176.1
[M+Na]+ 341.13729 186.3
[M-H]- 317.14079 178.7
[M+NH4]+ 336.18189 186.2
[M+K]+ 357.11123 176.4
[M+H-H2O]+ 301.14533 158.6
[M+HCOO]- 363.14627 188.6
[M+CH3COO]- 377.16192 183.9
[M+Na-2H]- 339.12274 177.6
[M]+ 318.14752 168.0
[M]- 318.14862 168.0
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