CID 20982630

Methyl 2-({5-formylimidazo[2,1-b][1,3]thiazol-6-yl}sulfanyl)acetate

Structural Information

Molecular Formula
C9H8N2O3S2
SMILES
COC(=O)CSC1=C(N2C=CSC2=N1)C=O
InChI
InChI=1S/C9H8N2O3S2/c1-14-7(13)5-16-8-6(4-12)11-2-3-15-9(11)10-8/h2-4H,5H2,1H3
InChIKey
LDSGPRIHWPPGMX-UHFFFAOYSA-N
Compound name
methyl 2-(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.99763 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.00491 156.2
[M+Na]+ 278.98685 166.2
[M+NH4]+ 274.03145 163.5
[M+K]+ 294.96079 160.8
[M-H]- 254.99035 155.8
[M+Na-2H]- 276.97230 158.0
[M]+ 255.99708 158.2
[M]- 255.99818 158.2
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.