CID 1083090

329718-84-5

Structural Information

Molecular Formula
C17H11BrN2O2S
SMILES
COC1=C(C=C(C=C1)Br)/C=C\2/C(=O)N3C4=CC=CC=C4N=C3S2
InChI
InChI=1S/C17H11BrN2O2S/c1-22-14-7-6-11(18)8-10(14)9-15-16(21)20-13-5-3-2-4-12(13)19-17(20)23-15/h2-9H,1H3/b15-9-
InChIKey
BIGUPBGXFZLYAU-DHDCSXOGSA-N
Compound name
(2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

385.97247 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.97975 174.5
[M+Na]+ 408.96169 181.3
[M+NH4]+ 404.00629 179.7
[M+K]+ 424.93563 180.4
[M-H]- 384.96519 176.8
[M+Na-2H]- 406.94714 178.5
[M]+ 385.97192 175.6
[M]- 385.97302 175.6
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.