CID 23661574

Chembl247678

Structural Information

Molecular Formula
C22H20N2S
SMILES
C1=CC=C(C=C1)CCSCC2=CN=C3N2C=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H20N2S/c1-3-7-18(8-4-1)13-14-25-17-21-15-23-22-12-11-20(16-24(21)22)19-9-5-2-6-10-19/h1-12,15-16H,13-14,17H2
InChIKey
MKCSPGXIHAESNR-UHFFFAOYSA-N
Compound name
6-phenyl-3-(2-phenylethylsulfanylmethyl)imidazo[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 181.5
[M+Na]+ 367.12392 191.3
[M-H]- 343.12742 189.8
[M+NH4]+ 362.16852 195.5
[M+K]+ 383.09786 183.1
[M+H-H2O]+ 327.13196 171.8
[M+HCOO]- 389.13290 199.2
[M+CH3COO]- 403.14855 192.4
[M+Na-2H]- 365.10937 184.4
[M]+ 344.13415 185.7
[M]- 344.13525 185.7
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.