CID 6435076

Brn 0817057

Structural Information

Molecular Formula
C17H13IN2OS
SMILES
CC1=CC(=CC=C1)/C=C\2/C(=O)N(C(=S)N2)C3=CC(=CC=C3)I
InChI
InChI=1S/C17H13IN2OS/c1-11-4-2-5-12(8-11)9-15-16(21)20(17(22)19-15)14-7-3-6-13(18)10-14/h2-10H,1H3,(H,19,22)/b15-9-
InChIKey
YAYOAZIRXFDUHE-DHDCSXOGSA-N
Compound name
(5Z)-3-(3-iodophenyl)-5-[(3-methylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.97934 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.98662 175.4
[M+Na]+ 442.96856 178.2
[M-H]- 418.97206 174.6
[M+NH4]+ 438.01316 184.8
[M+K]+ 458.94250 176.2
[M+H-H2O]+ 402.97660 164.0
[M+HCOO]- 464.97754 185.1
[M+CH3COO]- 478.99319 182.0
[M+Na-2H]- 440.95401 161.6
[M]+ 419.97879 171.3
[M]- 419.97989 171.3
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.