CID 15958001

Schembl14014596

Structural Information

Molecular Formula
C24H27N7O
SMILES
C1CCC(CC1)C2=C(C=NC3=C(C=NN23)C4=NNN=N4)C5=CC(=CC=C5)OC6CCCC6
InChI
InChI=1S/C24H27N7O/c1-2-7-16(8-3-1)22-20(17-9-6-12-19(13-17)32-18-10-4-5-11-18)14-25-24-21(15-26-31(22)24)23-27-29-30-28-23/h6,9,12-16,18H,1-5,7-8,10-11H2,(H,27,28,29,30)
InChIKey
UWUKCJJVNFKXQC-UHFFFAOYSA-N
Compound name
7-cyclohexyl-6-(3-cyclopentyloxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

429.22772 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.23500 197.3
[M+Na]+ 452.21694 202.6
[M-H]- 428.22044 204.4
[M+NH4]+ 447.26154 201.7
[M+K]+ 468.19088 194.8
[M+H-H2O]+ 412.22498 183.2
[M+HCOO]- 474.22592 207.6
[M+CH3COO]- 488.24157 203.3
[M+Na-2H]- 450.20239 191.8
[M]+ 429.22717 192.5
[M]- 429.22827 192.5
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