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]+ 256.075036 154.2
[M+Na]+ 278.056978 168.4
[M-H]- 254.060484 160.6
[M+NH4]+ 273.101583 171.3
[M+K]+ 294.030918 166.6
[M+H-H2O]+ 238.065020 148.5
[M+HCOO]- 300.065961 172.7
[M+CH3COO]- 314.081611 191.6
[M+Na-2H]- 276.042426 155.2
[M]+ 255.06721142 163.2
[M]- 255.06830858 163.2
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.