CID 44438039

Chembl393028

Structural Information

Molecular Formula
C21H20N2S2
SMILES
CC1=CN2C(=CN=C2C(=C1)C3=CSC=C3)CSCCC4=CC=CC=C4
InChI
InChI=1S/C21H20N2S2/c1-16-11-20(18-8-10-24-14-18)21-22-12-19(23(21)13-16)15-25-9-7-17-5-3-2-4-6-17/h2-6,8,10-14H,7,9,15H2,1H3
InChIKey
LHQYWRYEKQTQSY-UHFFFAOYSA-N
Compound name
6-methyl-3-(2-phenylethylsulfanylmethyl)-8-thiophen-3-ylimidazo[1,2-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

364.10678 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.11406 184.1
[M+Na]+ 387.09600 196.5
[M-H]- 363.09950 193.6
[M+NH4]+ 382.14060 200.6
[M+K]+ 403.06994 188.6
[M+H-H2O]+ 347.10404 177.4
[M+HCOO]- 409.10498 198.5
[M+CH3COO]- 423.12063 195.9
[M+Na-2H]- 385.08145 182.4
[M]+ 364.10623 191.3
[M]- 364.10733 191.3
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.