CID 6434267

Brn 0822693

Structural Information

Molecular Formula
C18H15BrN2OS
SMILES
CC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=S)N2)C3=CC=C(C=C3)Br)C
InChI
InChI=1S/C18H15BrN2OS/c1-11-3-4-13(9-12(11)2)10-16-17(22)21(18(23)20-16)15-7-5-14(19)6-8-15/h3-10H,1-2H3,(H,20,23)/b16-10-
InChIKey
BJTJNGUKOWYPKD-YBEGLDIGSA-N
Compound name
(5Z)-3-(4-bromophenyl)-5-[(3,4-dimethylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.00885 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.01613 175.2
[M+Na]+ 408.99807 188.8
[M-H]- 385.00157 184.7
[M+NH4]+ 404.04267 190.9
[M+K]+ 424.97201 173.3
[M+H-H2O]+ 369.00611 174.6
[M+HCOO]- 431.00705 187.8
[M+CH3COO]- 445.02270 188.1
[M+Na-2H]- 406.98352 173.7
[M]+ 386.00830 193.4
[M]- 386.00940 193.4
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.