CID 15958056

Schembl14561706

Structural Information

Molecular Formula
C19H17F2N7
SMILES
C1CCC(CC1)C2=C(C=NC3=C(C=NN23)C4=NNN=N4)C5=CC(=C(C=C5)F)F
InChI
InChI=1S/C19H17F2N7/c20-15-7-6-12(8-16(15)21)13-9-22-19-14(18-24-26-27-25-18)10-23-28(19)17(13)11-4-2-1-3-5-11/h6-11H,1-5H2,(H,24,25,26,27)
InChIKey
LFQPKJGNGAMAIY-UHFFFAOYSA-N
Compound name
7-cyclohexyl-6-(3,4-difluorophenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

381.15134 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.15862 189.0
[M+Na]+ 404.14056 199.2
[M-H]- 380.14406 191.0
[M+NH4]+ 399.18516 194.5
[M+K]+ 420.11450 189.2
[M+H-H2O]+ 364.14860 174.0
[M+HCOO]- 426.14954 199.3
[M+CH3COO]- 440.16519 196.1
[M+Na-2H]- 402.12601 187.3
[M]+ 381.15079 184.2
[M]- 381.15189 184.2
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