CID 483273

3-(4-amino-1-ethyl-3-methyl-1h-5-pyrazolyl)-5-methyl-isoxazole

Structural Information

Molecular Formula
C10H14N4O
SMILES
CCN1C(=C(C(=N1)C)N)C2=NOC(=C2)C
InChI
InChI=1S/C10H14N4O/c1-4-14-10(9(11)7(3)12-14)8-5-6(2)15-13-8/h5H,4,11H2,1-3H3
InChIKey
YSKQPGISCMIKNE-UHFFFAOYSA-N
Compound name
1-ethyl-3-methyl-5-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

206.11676 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.12404 144.4
[M+Na]+ 229.10598 156.4
[M-H]- 205.10948 149.3
[M+NH4]+ 224.15058 162.0
[M+K]+ 245.07992 154.4
[M+H-H2O]+ 189.11402 136.7
[M+HCOO]- 251.11496 168.8
[M+CH3COO]- 265.13061 189.1
[M+Na-2H]- 227.09143 147.3
[M]+ 206.11621 148.6
[M]- 206.11731 148.6
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

No patent data available for this compound.