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 174.7
[M+Na]+ 408.96169 193.0
[M-H]- 384.96519 186.1
[M+NH4]+ 404.00629 195.2
[M+K]+ 424.93563 180.1
[M+H-H2O]+ 368.96973 175.7
[M+HCOO]- 430.97067 193.7
[M+CH3COO]- 444.98632 190.5
[M+Na-2H]- 406.94714 178.7
[M]+ 385.97192 202.1
[M]- 385.97302 202.1
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.