CID 19709702

Schembl7845174

Structural Information

Molecular Formula
C10H14N4
SMILES
CCCCC1=NC2=CC=NN2C(=C1)N
InChI
InChI=1S/C10H14N4/c1-2-3-4-8-7-9(11)14-10(13-8)5-6-12-14/h5-7H,2-4,11H2,1H3
InChIKey
WMLBPFXDYDINND-UHFFFAOYSA-N
Compound name
5-butylpyrazolo[1,5-a]pyrimidin-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

190.12184 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.12912 140.6
[M+Na]+ 213.11106 153.7
[M+NH4]+ 208.15566 148.5
[M+K]+ 229.08500 148.8
[M-H]- 189.11456 141.9
[M+Na-2H]- 211.09651 147.0
[M]+ 190.12129 142.7
[M]- 190.12239 142.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe