CID 15957965

Schembl14014509

Structural Information

Molecular Formula
C20H21N7O
SMILES
COC1=CC=C(C=C1)C2=C(N3C(=C(C=N3)C4=NNN=N4)N=C2)C5CCCCC5
InChI
InChI=1S/C20H21N7O/c1-28-15-9-7-13(8-10-15)16-11-21-20-17(19-23-25-26-24-19)12-22-27(20)18(16)14-5-3-2-4-6-14/h7-12,14H,2-6H2,1H3,(H,23,24,25,26)
InChIKey
UTDLXIWYUTUMSO-UHFFFAOYSA-N
Compound name
7-cyclohexyl-6-(4-methoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

375.18076 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.18804 189.1
[M+Na]+ 398.16998 197.5
[M-H]- 374.17348 193.2
[M+NH4]+ 393.21458 194.5
[M+K]+ 414.14392 189.2
[M+H-H2O]+ 358.17802 175.4
[M+HCOO]- 420.17896 201.2
[M+CH3COO]- 434.19461 196.4
[M+Na-2H]- 396.15543 188.9
[M]+ 375.18021 187.0
[M]- 375.18131 187.0
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