CID 493525

3-[bis(phenethylsulfanyl)methyl]-7-methyl-imidazo[1,2-a]pyridine

Structural Information

Molecular Formula
C25H26N2S2
SMILES
CC1=CC2=NC=C(N2C=C1)C(SCCC3=CC=CC=C3)SCCC4=CC=CC=C4
InChI
InChI=1S/C25H26N2S2/c1-20-12-15-27-23(19-26-24(27)18-20)25(28-16-13-21-8-4-2-5-9-21)29-17-14-22-10-6-3-7-11-22/h2-12,15,18-19,25H,13-14,16-17H2,1H3
InChIKey
MHBJQTRZLWEHGY-UHFFFAOYSA-N
Compound name
3-[bis(2-phenylethylsulfanyl)methyl]-7-methylimidazo[1,2-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.15375 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.16103 197.5
[M+Na]+ 441.14297 206.3
[M-H]- 417.14647 205.0
[M+NH4]+ 436.18757 209.0
[M+K]+ 457.11691 197.2
[M+H-H2O]+ 401.15101 188.7
[M+HCOO]- 463.15195 208.3
[M+CH3COO]- 477.16760 206.5
[M+Na-2H]- 439.12842 197.0
[M]+ 418.15320 203.3
[M]- 418.15430 203.3
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.