CID 15958068

Schembl4709416

Structural Information

Molecular Formula
C14H17N7
SMILES
CC1=C(N2C(=C(C=N2)C3=NNN=N3)N=C1)C4CCCCC4
InChI
InChI=1S/C14H17N7/c1-9-7-15-14-11(13-17-19-20-18-13)8-16-21(14)12(9)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H,17,18,19,20)
InChIKey
PBEUYRFFJZIZIM-UHFFFAOYSA-N
Compound name
7-cyclohexyl-6-methyl-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

283.15454 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.16182 167.6
[M+Na]+ 306.14376 177.1
[M-H]- 282.14726 168.6
[M+NH4]+ 301.18836 177.4
[M+K]+ 322.11770 170.3
[M+H-H2O]+ 266.15180 155.4
[M+HCOO]- 328.15274 180.7
[M+CH3COO]- 342.16839 176.6
[M+Na-2H]- 304.12921 169.0
[M]+ 283.15399 164.7
[M]- 283.15509 164.7
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