CID 512360

Imidazo[1,2-a]pyridine, 7-methyl-3-[(propylthio)methyl]-

Structural Information

Molecular Formula
C12H16N2S
SMILES
CCCSCC1=CN=C2N1C=CC(=C2)C
InChI
InChI=1S/C12H16N2S/c1-3-6-15-9-11-8-13-12-7-10(2)4-5-14(11)12/h4-5,7-8H,3,6,9H2,1-2H3
InChIKey
MAENJOMCZJORJD-UHFFFAOYSA-N
Compound name
7-methyl-3-(propylsulfanylmethyl)imidazo[1,2-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

220.10342 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.110696 147.5
[M+Na]+ 243.092638 158.8
[M-H]- 219.096144 150.3
[M+NH4]+ 238.137243 167.8
[M+K]+ 259.066578 154.4
[M+H-H2O]+ 203.100680 140.9
[M+HCOO]- 265.101621 165.7
[M+CH3COO]- 279.117271 161.0
[M+Na-2H]- 241.078086 150.9
[M]+ 220.10287142 153.8
[M]- 220.10396858 153.8
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.