CID 15957991

7-cyclohexyl-6-[3-(2-pyridyloxy)phenyl]-3-(1h-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine

Structural Information

Molecular Formula
C24H22N8O
SMILES
C1CCC(CC1)C2=C(C=NC3=C(C=NN23)C4=NNN=N4)C5=CC(=CC=C5)OC6=CC=CC=N6
InChI
InChI=1S/C24H22N8O/c1-2-7-16(8-3-1)22-19(14-26-24-20(15-27-32(22)24)23-28-30-31-29-23)17-9-6-10-18(13-17)33-21-11-4-5-12-25-21/h4-6,9-16H,1-3,7-8H2,(H,28,29,30,31)
InChIKey
UZYSYCUMURUSSV-UHFFFAOYSA-N
Compound name
7-cyclohexyl-6-(3-pyridin-2-yloxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.19165 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.19893 201.1
[M+Na]+ 461.18087 208.5
[M-H]- 437.18437 206.8
[M+NH4]+ 456.22547 201.8
[M+K]+ 477.15481 198.4
[M+H-H2O]+ 421.18891 185.6
[M+HCOO]- 483.18985 211.2
[M+CH3COO]- 497.20550 206.7
[M+Na-2H]- 459.16632 201.0
[M]+ 438.19110 197.9
[M]- 438.19220 197.9
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

No patent data available for this compound.