CID 512358

Chembl148727

Structural Information

Molecular Formula
C16H15ClN2S
SMILES
CC1=CC2=NC=C(N2C=C1)CSCC3=CC=CC=C3Cl
InChI
InChI=1S/C16H15ClN2S/c1-12-6-7-19-14(9-18-16(19)8-12)11-20-10-13-4-2-3-5-15(13)17/h2-9H,10-11H2,1H3
InChIKey
LQRDJINEFMGQEG-UHFFFAOYSA-N
Compound name
3-[(2-chlorophenyl)methylsulfanylmethyl]-7-methylimidazo[1,2-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

302.06445 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.07173 167.0
[M+Na]+ 325.05367 179.5
[M-H]- 301.05717 172.9
[M+NH4]+ 320.09827 184.5
[M+K]+ 341.02761 171.9
[M+H-H2O]+ 285.06171 159.6
[M+HCOO]- 347.06265 180.6
[M+CH3COO]- 361.07830 179.6
[M+Na-2H]- 323.03912 169.5
[M]+ 302.06390 174.4
[M]- 302.06500 174.4
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.