CID 762448

(5e)-5-[(4-bromophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one

Structural Information

Molecular Formula
C10H7BrN2OS
SMILES
C1=CC(=CC=C1/C=C/2\C(=O)NC(=S)N2)Br
InChI
InChI=1S/C10H7BrN2OS/c11-7-3-1-6(2-4-7)5-8-9(14)13-10(15)12-8/h1-5H,(H2,12,13,14,15)/b8-5+
InChIKey
HFUBCGMGUNUQRG-VMPITWQZSA-N
Compound name
(5E)-5-[(4-bromophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

281.94626 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.95354 146.8
[M+Na]+ 304.93548 159.9
[M-H]- 280.93898 151.7
[M+NH4]+ 299.98008 165.5
[M+K]+ 320.90942 145.1
[M+H-H2O]+ 264.94352 147.3
[M+HCOO]- 326.94446 159.1
[M+CH3COO]- 340.96011 160.5
[M+Na-2H]- 302.92093 148.4
[M]+ 281.94571 161.8
[M]- 281.94681 161.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.