CID 15957954

Schembl4709975

Structural Information

Molecular Formula
C26H24N4O
SMILES
C1CCC(CC1)C2=C(C=NC3=C(C=NN23)C#N)C4=CC=C(C=C4)OCC5=CC=CC=C5
InChI
InChI=1S/C26H24N4O/c27-15-22-16-29-30-25(21-9-5-2-6-10-21)24(17-28-26(22)30)20-11-13-23(14-12-20)31-18-19-7-3-1-4-8-19/h1,3-4,7-8,11-14,16-17,21H,2,5-6,9-10,18H2
InChIKey
UKLUAFIOQCCJAJ-UHFFFAOYSA-N
Compound name
7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

408.195 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.20228 200.6
[M+Na]+ 431.18422 209.5
[M-H]- 407.18772 205.5
[M+NH4]+ 426.22882 207.0
[M+K]+ 447.15816 197.3
[M+H-H2O]+ 391.19226 180.6
[M+HCOO]- 453.19320 212.9
[M+CH3COO]- 467.20885 206.5
[M+Na-2H]- 429.16967 200.6
[M]+ 408.19445 193.2
[M]- 408.19555 193.2
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