CID 6435318

Brn 0819678

Structural Information

Molecular Formula
C17H13ClN2OS
SMILES
CC1=CC=CC=C1/C=C\2/C(=O)N(C(=S)N2)C3=CC=CC=C3Cl
InChI
InChI=1S/C17H13ClN2OS/c1-11-6-2-3-7-12(11)10-14-16(21)20(17(22)19-14)15-9-5-4-8-13(15)18/h2-10H,1H3,(H,19,22)/b14-10-
InChIKey
YYPKSOLJMRGYBX-UVTDQMKNSA-N
Compound name
(5Z)-3-(2-chlorophenyl)-5-[(2-methylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.0437 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.05098 176.0
[M+Na]+ 351.03292 186.9
[M-H]- 327.03642 182.7
[M+NH4]+ 346.07752 190.4
[M+K]+ 367.00686 177.6
[M+H-H2O]+ 311.04096 168.6
[M+HCOO]- 373.04190 185.8
[M+CH3COO]- 387.05755 186.8
[M+Na-2H]- 349.01837 172.7
[M]+ 328.04315 176.4
[M]- 328.04425 176.4
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.