CID 361995

136994-83-7

Structural Information

Molecular Formula
C15H11BrN2S
SMILES
C1C2=NC3=CC=CC=C3N2C(S1)C4=CC(=CC=C4)Br
InChI
InChI=1S/C15H11BrN2S/c16-11-5-3-4-10(8-11)15-18-13-7-2-1-6-12(13)17-14(18)9-19-15/h1-8,15H,9H2
InChIKey
WMEXLDJBKXUZPX-UHFFFAOYSA-N
Compound name
1-(3-bromophenyl)-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

329.98264 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.98992 161.9
[M+Na]+ 352.97186 178.0
[M-H]- 328.97536 172.3
[M+NH4]+ 348.01646 184.3
[M+K]+ 368.94580 165.7
[M+H-H2O]+ 312.97990 163.1
[M+HCOO]- 374.98084 178.6
[M+CH3COO]- 388.99649 177.5
[M+Na-2H]- 350.95731 166.2
[M]+ 329.98209 184.5
[M]- 329.98319 184.5
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.