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 153.4
[M+Na]+ 278.98685 166.0
[M-H]- 254.99035 157.0
[M+NH4]+ 274.03145 173.9
[M+K]+ 294.96079 162.9
[M+H-H2O]+ 238.99489 148.7
[M+HCOO]- 300.99583 167.9
[M+CH3COO]- 315.01148 189.5
[M+Na-2H]- 276.97230 153.0
[M]+ 255.99708 162.8
[M]- 255.99818 162.8
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.