CID 511747

Chembl100319

Structural Information

Molecular Formula
C16H16N2S
SMILES
CC1=CC=CC2=NC=C(N12)CSCC3=CC=CC=C3
InChI
InChI=1S/C16H16N2S/c1-13-6-5-9-16-17-10-15(18(13)16)12-19-11-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3
InChIKey
UGPCCWBXQOIFRO-UHFFFAOYSA-N
Compound name
3-(benzylsulfanylmethyl)-5-methylimidazo[1,2-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

268.10342 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.11070 159.9
[M+Na]+ 291.09264 171.0
[M-H]- 267.09614 165.8
[M+NH4]+ 286.13724 177.8
[M+K]+ 307.06658 164.9
[M+H-H2O]+ 251.10068 152.1
[M+HCOO]- 313.10162 178.4
[M+CH3COO]- 327.11727 172.7
[M+Na-2H]- 289.07809 163.7
[M]+ 268.10287 165.0
[M]- 268.10397 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.