CID 44438055

Chembl245836

Structural Information

Molecular Formula
C23H21FN2S
SMILES
CC1=CN2C(=CN=C2C(=C1)C3=CC(=CC=C3)F)CSCCC4=CC=CC=C4
InChI
InChI=1S/C23H21FN2S/c1-17-12-22(19-8-5-9-20(24)13-19)23-25-14-21(26(23)15-17)16-27-11-10-18-6-3-2-4-7-18/h2-9,12-15H,10-11,16H2,1H3
InChIKey
PQXOAFLKOQPRLO-UHFFFAOYSA-N
Compound name
8-(3-fluorophenyl)-6-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

376.14096 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.14824 189.7
[M+Na]+ 399.13018 200.7
[M-H]- 375.13368 197.1
[M+NH4]+ 394.17478 202.8
[M+K]+ 415.10412 191.7
[M+H-H2O]+ 359.13822 179.1
[M+HCOO]- 421.13916 205.9
[M+CH3COO]- 435.15481 200.2
[M+Na-2H]- 397.11563 190.0
[M]+ 376.14041 194.2
[M]- 376.14151 194.2
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.