CID 6435074

Brn 0822912

Structural Information

Molecular Formula
C16H10ClIN2OS
SMILES
C1=CC(=CC(=C1)I)N2C(=O)/C(=C/C3=CC=C(C=C3)Cl)/NC2=S
InChI
InChI=1S/C16H10ClIN2OS/c17-11-6-4-10(5-7-11)8-14-15(21)20(16(22)19-14)13-3-1-2-12(18)9-13/h1-9H,(H,19,22)/b14-8-
InChIKey
FUPOPEMIDWGIQV-ZSOIEALJSA-N
Compound name
(5Z)-5-[(4-chlorophenyl)methylidene]-3-(3-iodophenyl)-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.9247 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.93198 176.3
[M+Na]+ 462.91392 180.1
[M-H]- 438.91742 175.5
[M+NH4]+ 457.95852 185.8
[M+K]+ 478.88786 177.0
[M+H-H2O]+ 422.92196 165.5
[M+HCOO]- 484.92290 182.0
[M+CH3COO]- 498.93855 182.9
[M+Na-2H]- 460.89937 162.7
[M]+ 439.92415 173.8
[M]- 439.92525 173.8
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.