CID 15958069

632363-23-6

Structural Information

Molecular Formula
C9H9N7
SMILES
CCC1=CC=NC2=C(C=NN12)C3=NNN=N3
InChI
InChI=1S/C9H9N7/c1-2-6-3-4-10-9-7(5-11-16(6)9)8-12-14-15-13-8/h3-5H,2H2,1H3,(H,12,13,14,15)
InChIKey
IYKAQIZJHGUAKK-UHFFFAOYSA-N
Compound name
7-ethyl-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

215.09195 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.09923 147.1
[M+Na]+ 238.08117 159.7
[M-H]- 214.08467 146.0
[M+NH4]+ 233.12577 160.2
[M+K]+ 254.05511 154.5
[M+H-H2O]+ 198.08921 136.6
[M+HCOO]- 260.09015 164.9
[M+CH3COO]- 274.10580 158.7
[M+Na-2H]- 236.06662 153.1
[M]+ 215.09140 148.9
[M]- 215.09250 148.9
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