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
3-tert-butyl-1-pyridin-2-ylpyrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

216.1375 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.144776 151.1
[M+Na]+ 239.126718 160.2
[M-H]- 215.130224 154.2
[M+NH4]+ 234.171323 167.4
[M+K]+ 255.100658 156.4
[M+H-H2O]+ 199.134760 142.6
[M+HCOO]- 261.135701 171.8
[M+CH3COO]- 275.151351 190.3
[M+Na-2H]- 237.112166 156.4
[M]+ 216.13695142 150.4
[M]- 216.13804858 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