CID 44438037

Chembl247679

Structural Information

Molecular Formula
C23H22N2S
SMILES
CC1=CN2C(=CN=C2C(=C1)C3=CC=CC=C3)CSCCC4=CC=CC=C4
InChI
InChI=1S/C23H22N2S/c1-18-14-22(20-10-6-3-7-11-20)23-24-15-21(25(23)16-18)17-26-13-12-19-8-4-2-5-9-19/h2-11,14-16H,12-13,17H2,1H3
InChIKey
YOJRXUNYQGWVNC-UHFFFAOYSA-N
Compound name
6-methyl-8-phenyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

358.15036 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.15764 186.5
[M+Na]+ 381.13958 196.6
[M-H]- 357.14308 195.0
[M+NH4]+ 376.18418 200.2
[M+K]+ 397.11352 188.2
[M+H-H2O]+ 341.14762 176.8
[M+HCOO]- 403.14856 203.8
[M+CH3COO]- 417.16421 197.3
[M+Na-2H]- 379.12503 188.2
[M]+ 358.14981 191.5
[M]- 358.15091 191.5
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.