CID 46785271

2-(pyrrolidin-1-yl)thieno[2,3-d][1,3]thiazole-5-carboxylic acid

Structural Information

Molecular Formula
C10H10N2O2S2
SMILES
C1CCN(C1)C2=NC3=C(S2)C=C(S3)C(=O)O
InChI
InChI=1S/C10H10N2O2S2/c13-9(14)7-5-6-8(15-7)11-10(16-6)12-3-1-2-4-12/h5H,1-4H2,(H,13,14)
InChIKey
SSIJREFNTJCFIQ-UHFFFAOYSA-N
Compound name
2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.01837 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.02565 155.1
[M+Na]+ 277.00759 166.7
[M-H]- 253.01109 160.9
[M+NH4]+ 272.05219 176.8
[M+K]+ 292.98153 163.8
[M+H-H2O]+ 237.01563 151.5
[M+HCOO]- 299.01657 167.6
[M+CH3COO]- 313.03222 168.2
[M+Na-2H]- 274.99304 151.8
[M]+ 254.01782 159.2
[M]- 254.01892 159.2
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.