CID 5507324

41776-91-4

Structural Information

Molecular Formula
C16H9IN2OS
SMILES
C1=CC=C2C(=C1)N=C3N2C(=O)/C(=C/C4=CC=C(C=C4)I)/S3
InChI
InChI=1S/C16H9IN2OS/c17-11-7-5-10(6-8-11)9-14-15(20)19-13-4-2-1-3-12(13)18-16(19)21-14/h1-9H/b14-9-
InChIKey
GCRWREZLFYPVDM-ZROIWOOFSA-N
Compound name
(2Z)-2-[(4-iodophenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

403.94803 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.95531 175.6
[M+Na]+ 426.93725 184.7
[M+NH4]+ 421.98185 180.8
[M+K]+ 442.91119 180.2
[M-H]- 402.94075 174.0
[M+Na-2H]- 424.92270 171.1
[M]+ 403.94748 176.1
[M]- 403.94858 176.1
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.