CID 43531915

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

Structural Information

Molecular Formula
C11H15N5
SMILES
CC(C)(C)C1=NN(C(=C1)N)C2=NC=CC=N2
InChI
InChI=1S/C11H15N5/c1-11(2,3)8-7-9(12)16(15-8)10-13-5-4-6-14-10/h4-7H,12H2,1-3H3
InChIKey
MTKDCIMCMVHWMT-UHFFFAOYSA-N
Compound name
5-tert-butyl-2-pyrimidin-2-ylpyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

217.13275 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.14003 151.8
[M+Na]+ 240.12197 161.3
[M-H]- 216.12547 153.6
[M+NH4]+ 235.16657 166.5
[M+K]+ 256.09591 157.5
[M+H-H2O]+ 200.13001 142.6
[M+HCOO]- 262.13095 171.4
[M+CH3COO]- 276.14660 190.2
[M+Na-2H]- 238.10742 157.4
[M]+ 217.13220 151.1
[M]- 217.13330 151.1
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