CID 501929

6,8-dibromo-5-methyl-3-(3-phenylpropylsulfanylmethyl)imidazo[1,2-a]pyridine

Structural Information

Molecular Formula
C18H18Br2N2S
SMILES
CC1=C(C=C(C2=NC=C(N12)CSCCCC3=CC=CC=C3)Br)Br
InChI
InChI=1S/C18H18Br2N2S/c1-13-16(19)10-17(20)18-21-11-15(22(13)18)12-23-9-5-8-14-6-3-2-4-7-14/h2-4,6-7,10-11H,5,8-9,12H2,1H3
InChIKey
PHGJOKLVFBALPM-UHFFFAOYSA-N
Compound name
6,8-dibromo-5-methyl-3-(3-phenylpropylsulfanylmethyl)imidazo[1,2-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

451.95575 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.96303 163.9
[M+Na]+ 474.94497 177.1
[M-H]- 450.94847 172.7
[M+NH4]+ 469.98957 180.1
[M+K]+ 490.91891 160.5
[M+H-H2O]+ 434.95301 172.4
[M+HCOO]- 496.95395 175.9
[M+CH3COO]- 510.96960 177.4
[M+Na-2H]- 472.93042 168.4
[M]+ 451.95520 203.2
[M]- 451.95630 203.2
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.