CID 43381330

3-tert-butyl-1-(pyridin-2-yl)-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C12H16N4
SMILES
CC(C)(C)C1=NN(C(=C1)N)C2=CC=CC=N2
InChI
InChI=1S/C12H16N4/c1-12(2,3)9-8-10(13)16(15-9)11-6-4-5-7-14-11/h4-8H,13H2,1-3H3
InChIKey
GUULKYKPJKFSFK-UHFFFAOYSA-N
Compound name
5-tert-butyl-2-pyridin-2-ylpyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

216.1375 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.14478 149.7
[M+Na]+ 239.12672 162.1
[M+NH4]+ 234.17132 157.0
[M+K]+ 255.10066 158.4
[M-H]- 215.13022 151.9
[M+Na-2H]- 237.11217 157.4
[M]+ 216.13695 152.0
[M]- 216.13805 152.0
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