CID 3087141

Brn 5994792

Structural Information

Molecular Formula
C16H13N3O2S2
SMILES
CC1=CC(=NN1C2=NS(=O)(=O)C3=C2SC(=C3)C4=CC=CC=C4)C
InChI
InChI=1S/C16H13N3O2S2/c1-10-8-11(2)19(17-10)16-15-14(23(20,21)18-16)9-13(22-15)12-6-4-3-5-7-12/h3-9H,1-2H3
InChIKey
XDCAPURAJUSKQF-UHFFFAOYSA-N
Compound name
3-(3,5-dimethylpyrazol-1-yl)-5-phenylthieno[2,3-d][1,2]thiazole 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.04492 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.05220 176.5
[M+Na]+ 366.03414 193.5
[M-H]- 342.03764 187.3
[M+NH4]+ 361.07874 196.8
[M+K]+ 382.00808 187.9
[M+H-H2O]+ 326.04218 172.3
[M+HCOO]- 388.04312 193.0
[M+CH3COO]- 402.05877 190.6
[M+Na-2H]- 364.01959 174.6
[M]+ 343.04437 186.5
[M]- 343.04547 186.5
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.