CID 15958037

Schembl14014679

Structural Information

Molecular Formula
C27H27N7O
SMILES
CC1=CC(=CC=C1)COC2=CC=C(C=C2)C3=C(N4C(=C(C=N4)C5=NNN=N5)N=C3)C6CCCCC6
InChI
InChI=1S/C27H27N7O/c1-18-6-5-7-19(14-18)17-35-22-12-10-20(11-13-22)23-15-28-27-24(26-30-32-33-31-26)16-29-34(27)25(23)21-8-3-2-4-9-21/h5-7,10-16,21H,2-4,8-9,17H2,1H3,(H,30,31,32,33)
InChIKey
HBLVIEMMAMIDFE-UHFFFAOYSA-N
Compound name
7-cyclohexyl-6-[4-[(3-methylphenyl)methoxy]phenyl]-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

465.22772 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.23500 211.4
[M+Na]+ 488.21694 218.3
[M-H]- 464.22044 218.2
[M+NH4]+ 483.26154 212.6
[M+K]+ 504.19088 208.1
[M+H-H2O]+ 448.22498 196.1
[M+HCOO]- 510.22592 221.9
[M+CH3COO]- 524.24157 216.8
[M+Na-2H]- 486.20239 209.1
[M]+ 465.22717 209.0
[M]- 465.22827 209.0
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