CID 6119971

Brn 0817736

Structural Information

Molecular Formula
C17H13BrN2OS
SMILES
CC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)N2)C3=CC=C(C=C3)Br
InChI
InChI=1S/C17H13BrN2OS/c1-11-2-4-12(5-3-11)10-15-16(21)20(17(22)19-15)14-8-6-13(18)7-9-14/h2-10H,1H3,(H,19,22)/b15-10-
InChIKey
WEFAQEVPHGHHQC-GDNBJRDFSA-N
Compound name
(5Z)-3-(4-bromophenyl)-5-[(4-methylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.9932 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.00048 170.8
[M+Na]+ 394.98242 175.4
[M+NH4]+ 390.02702 175.0
[M+K]+ 410.95636 173.8
[M-H]- 370.98592 173.4
[M+Na-2H]- 392.96787 174.8
[M]+ 371.99265 171.4
[M]- 371.99375 171.4
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.