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 154.2
[M+Na]+ 278.05698 168.4
[M-H]- 254.06048 160.6
[M+NH4]+ 273.10158 171.3
[M+K]+ 294.03092 166.6
[M+H-H2O]+ 238.06502 148.5
[M+HCOO]- 300.06596 172.7
[M+CH3COO]- 314.08161 191.6
[M+Na-2H]- 276.04243 155.2
[M]+ 255.06721 163.2
[M]- 255.06831 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.