CID 5101518

Thieno[2',3':4,5]imidazo[1,2-a]pyridine-2-carboxylic acid

Structural Information

Molecular Formula
C10H6N2O2S
SMILES
C1=CC2=NC3=C(N2C=C1)C=C(S3)C(=O)O
InChI
InChI=1S/C10H6N2O2S/c13-10(14)7-5-6-9(15-7)11-8-3-1-2-4-12(6)8/h1-5H,(H,13,14)
InChIKey
DZJHCXAWQGHBST-UHFFFAOYSA-N
Compound name
5-thia-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaene-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

218.015 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.02228 143.0
[M+Na]+ 241.00422 156.8
[M-H]- 217.00772 147.0
[M+NH4]+ 236.04882 165.3
[M+K]+ 256.97816 152.9
[M+H-H2O]+ 201.01226 138.2
[M+HCOO]- 263.01320 162.2
[M+CH3COO]- 277.02885 157.7
[M+Na-2H]- 238.98967 147.4
[M]+ 218.01445 149.9
[M]- 218.01555 149.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.