CID 511740

Chembl95788

Structural Information

Molecular Formula
C12H14N2O3S
SMILES
COC(=O)C1=C(N2C=CC=CC2=N1)CSCCO
InChI
InChI=1S/C12H14N2O3S/c1-17-12(16)11-9(8-18-7-6-15)14-5-3-2-4-10(14)13-11/h2-5,15H,6-8H2,1H3
InChIKey
MDRGEXPEFRPKNT-UHFFFAOYSA-N
Compound name
methyl 3-(2-hydroxyethylsulfanylmethyl)imidazo[1,2-a]pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

266.0725 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.07978 157.8
[M+Na]+ 289.06172 167.8
[M-H]- 265.06522 159.2
[M+NH4]+ 284.10632 174.9
[M+K]+ 305.03566 164.1
[M+H-H2O]+ 249.06976 151.2
[M+HCOO]- 311.07070 174.2
[M+CH3COO]- 325.08635 191.7
[M+Na-2H]- 287.04717 160.1
[M]+ 266.07195 165.0
[M]- 266.07305 165.0
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.