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

83
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 151.1
[M+Na]+ 239.12672 160.2
[M-H]- 215.13022 154.2
[M+NH4]+ 234.17132 167.4
[M+K]+ 255.10066 156.4
[M+H-H2O]+ 199.13476 142.6
[M+HCOO]- 261.13570 171.8
[M+CH3COO]- 275.15135 190.3
[M+Na-2H]- 237.11217 156.4
[M]+ 216.13695 150.4
[M]- 216.13805 150.4
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