CID 205204

17605-87-7

Structural Information

Molecular Formula
C10H13N3O3S
SMILES
CC1=CC(=NN1S(=O)(=O)C2=C(ON=C2C)C)C
InChI
InChI=1S/C10H13N3O3S/c1-6-5-7(2)13(11-6)17(14,15)10-8(3)12-16-9(10)4/h5H,1-4H3
InChIKey
QCQOTHAMYAUOGF-UHFFFAOYSA-N
Compound name
4-(3,5-dimethylpyrazol-1-yl)sulfonyl-3,5-dimethyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.06776 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.07504 157.1
[M+Na]+ 278.05698 169.6
[M+NH4]+ 273.10158 163.0
[M+K]+ 294.03092 167.6
[M-H]- 254.06048 158.4
[M+Na-2H]- 276.04243 161.2
[M]+ 255.06721 159.7
[M]- 255.06831 159.7
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

No patent data available for this compound.