CID 15958185

Schembl14015007

Structural Information

Molecular Formula
C20H19FN8O
SMILES
C1CCC(CC1)C2=C(C=NC3=C(C=NN23)C(=O)NC4=NNN=N4)C5=CC=C(C=C5)F
InChI
InChI=1S/C20H19FN8O/c21-14-8-6-12(7-9-14)15-10-22-18-16(19(30)24-20-25-27-28-26-20)11-23-29(18)17(15)13-4-2-1-3-5-13/h6-11,13H,1-5H2,(H2,24,25,26,27,28,30)
InChIKey
AYKGNGZCUWLGGP-UHFFFAOYSA-N
Compound name
7-cyclohexyl-6-(4-fluorophenyl)-N-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

406.1666 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.17388 191.5
[M+Na]+ 429.15582 199.1
[M-H]- 405.15932 194.9
[M+NH4]+ 424.20042 195.4
[M+K]+ 445.12976 190.4
[M+H-H2O]+ 389.16386 177.4
[M+HCOO]- 451.16480 203.2
[M+CH3COO]- 465.18045 198.0
[M+Na-2H]- 427.14127 191.5
[M]+ 406.16605 187.2
[M]- 406.16715 187.2
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