CID 15958026

Chembl582819

Structural Information

Molecular Formula
C25H23N7O
SMILES
C1CCC(CC1)C2=C(C=NC3=C(C=NN23)C4=NNN=N4)C5=CC=C(C=C5)OC6=CC=CC=C6
InChI
InChI=1S/C25H23N7O/c1-3-7-18(8-4-1)23-21(15-26-25-22(16-27-32(23)25)24-28-30-31-29-24)17-11-13-20(14-12-17)33-19-9-5-2-6-10-19/h2,5-6,9-16,18H,1,3-4,7-8H2,(H,28,29,30,31)
InChIKey
RLHBFNVSHFWJJK-UHFFFAOYSA-N
Compound name
7-cyclohexyl-6-(4-phenoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

437.1964 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.20368 201.5
[M+Na]+ 460.18562 208.5
[M-H]- 436.18912 208.2
[M+NH4]+ 455.23022 203.6
[M+K]+ 476.15956 198.7
[M+H-H2O]+ 420.19366 186.3
[M+HCOO]- 482.19460 212.8
[M+CH3COO]- 496.21025 207.5
[M+Na-2H]- 458.17107 201.0
[M]+ 437.19585 198.2
[M]- 437.19695 198.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe