CID 511741

Chembl95404

Structural Information

Molecular Formula
C11H14N2S
SMILES
CCSCC1=CN=C2N1C=CC(=C2)C
InChI
InChI=1S/C11H14N2S/c1-3-14-8-10-7-12-11-6-9(2)4-5-13(10)11/h4-7H,3,8H2,1-2H3
InChIKey
IBDRTDXVRWKZDL-UHFFFAOYSA-N
Compound name
3-(ethylsulfanylmethyl)-7-methylimidazo[1,2-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

206.08777 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.09505 143.0
[M+Na]+ 229.07699 154.7
[M-H]- 205.08049 146.0
[M+NH4]+ 224.12159 163.8
[M+K]+ 245.05093 150.6
[M+H-H2O]+ 189.08503 136.6
[M+HCOO]- 251.08597 161.5
[M+CH3COO]- 265.10162 156.9
[M+Na-2H]- 227.06244 146.9
[M]+ 206.08722 148.9
[M]- 206.08832 148.9
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.