CID 15958025

Schembl14014650

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
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

No literature data available for this compound.

Patent stripe

patents stripe