CID 3087136

Brn 5970327

Structural Information

Molecular Formula
C10H9N3O2S2
SMILES
CC1=CC(=NN1C2=NS(=O)(=O)C3=C2SC=C3)C
InChI
InChI=1S/C10H9N3O2S2/c1-6-5-7(2)13(11-6)10-9-8(3-4-16-9)17(14,15)12-10/h3-5H,1-2H3
InChIKey
MEFCMRHDFHCGQW-UHFFFAOYSA-N
Compound name
3-(3,5-dimethylpyrazol-1-yl)thieno[2,3-d][1,2]thiazole 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.0136 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.02088 154.5
[M+Na]+ 290.00282 171.7
[M-H]- 266.00632 162.0
[M+NH4]+ 285.04742 177.9
[M+K]+ 305.97676 167.9
[M+H-H2O]+ 250.01086 151.2
[M+HCOO]- 312.01180 171.2
[M+CH3COO]- 326.02745 169.8
[M+Na-2H]- 287.98827 154.0
[M]+ 267.01305 164.3
[M]- 267.01415 164.3
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.