CID 6435079

Brn 0826518

Structural Information

Molecular Formula
C17H13IN2O2S
SMILES
COC1=CC=CC(=C1)/C=C\2/C(=O)N(C(=S)N2)C3=CC(=CC=C3)I
InChI
InChI=1S/C17H13IN2O2S/c1-22-14-7-2-4-11(8-14)9-15-16(21)20(17(23)19-15)13-6-3-5-12(18)10-13/h2-10H,1H3,(H,19,23)/b15-9-
InChIKey
BKDJKMPXQDKLMM-DHDCSXOGSA-N
Compound name
(5Z)-3-(3-iodophenyl)-5-[(3-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.97424 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.98152 190.2
[M+Na]+ 458.96346 195.9
[M+NH4]+ 454.00806 192.8
[M+K]+ 474.93740 191.2
[M-H]- 434.96696 187.8
[M+Na-2H]- 456.94891 183.5
[M]+ 435.97369 189.6
[M]- 435.97479 189.6
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.