CID 511751

Chembl328401

Structural Information

Molecular Formula
C17H16Br2N2S
SMILES
CC1=C(C2=NC=C(N2C(=C1Br)C)CSCC3=CC=CC=C3)Br
InChI
InChI=1S/C17H16Br2N2S/c1-11-15(18)12(2)21-14(8-20-17(21)16(11)19)10-22-9-13-6-4-3-5-7-13/h3-8H,9-10H2,1-2H3
InChIKey
RFHAROAQTDYGGF-UHFFFAOYSA-N
Compound name
3-(benzylsulfanylmethyl)-6,8-dibromo-5,7-dimethylimidazo[1,2-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

437.9401 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.94738 159.9
[M+Na]+ 460.92932 174.0
[M-H]- 436.93282 169.1
[M+NH4]+ 455.97392 176.7
[M+K]+ 476.90326 157.6
[M+H-H2O]+ 420.93736 168.5
[M+HCOO]- 482.93830 172.1
[M+CH3COO]- 496.95395 174.0
[M+Na-2H]- 458.91477 164.3
[M]+ 437.93955 199.3
[M]- 437.94065 199.3
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.