CID 145874732

5h,6h,7h-pyrazolo[3,2-b][1,3]thiazine-3-carboxylic acid

Structural Information

Molecular Formula
C7H8N2O2S
SMILES
C1CN2C(=C(C=N2)C(=O)O)SC1
InChI
InChI=1S/C7H8N2O2S/c10-7(11)5-4-8-9-2-1-3-12-6(5)9/h4H,1-3H2,(H,10,11)
InChIKey
KTXKNHUMABTKBI-UHFFFAOYSA-N
Compound name
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]thiazine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.03065 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.037926 135.9
[M+Na]+ 207.019868 144.5
[M-H]- 183.023374 136.6
[M+NH4]+ 202.064473 155.9
[M+K]+ 222.993808 142.1
[M+H-H2O]+ 167.027910 130.2
[M+HCOO]- 229.028851 149.5
[M+CH3COO]- 243.044501 175.2
[M+Na-2H]- 205.005316 138.4
[M]+ 184.03010142 135.6
[M]- 184.03119858 135.6
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.