CID 493522

3-(1,3-dithiolan-2-yl)-8-methyl-imidazo[1,2-a]pyridine

Structural Information

Molecular Formula
C11H12N2S2
SMILES
CC1=CC=CN2C1=NC=C2C3SCCS3
InChI
InChI=1S/C11H12N2S2/c1-8-3-2-4-13-9(7-12-10(8)13)11-14-5-6-15-11/h2-4,7,11H,5-6H2,1H3
InChIKey
XLEYXVUFSGJEEC-UHFFFAOYSA-N
Compound name
3-(1,3-dithiolan-2-yl)-8-methylimidazo[1,2-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.04419 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.05147 148.1
[M+Na]+ 259.03341 160.4
[M-H]- 235.03691 154.4
[M+NH4]+ 254.07801 169.7
[M+K]+ 275.00735 156.0
[M+H-H2O]+ 219.04145 143.0
[M+HCOO]- 281.04239 161.3
[M+CH3COO]- 295.05804 161.8
[M+Na-2H]- 257.01886 147.6
[M]+ 236.04364 151.5
[M]- 236.04474 151.5
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.