CID 512365

Chembl358205

Structural Information

Molecular Formula
C22H20N2S
SMILES
CC1=CC2=NC(=C(N2C=C1)CSCC3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H20N2S/c1-17-12-13-24-20(16-25-15-18-8-4-2-5-9-18)22(23-21(24)14-17)19-10-6-3-7-11-19/h2-14H,15-16H2,1H3
InChIKey
WQNKEKJUHHSXSJ-UHFFFAOYSA-N
Compound name
3-(benzylsulfanylmethyl)-7-methyl-2-phenylimidazo[1,2-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

344.1347 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.14198 182.1
[M+Na]+ 367.12392 192.8
[M-H]- 343.12742 190.8
[M+NH4]+ 362.16852 196.4
[M+K]+ 383.09786 184.6
[M+H-H2O]+ 327.13196 172.7
[M+HCOO]- 389.13290 199.8
[M+CH3COO]- 403.14855 193.4
[M+Na-2H]- 365.10937 184.4
[M]+ 344.13415 186.8
[M]- 344.13525 186.8
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.