CID 5411060

15985-17-8

Structural Information

Molecular Formula
C16H11ClN2OS
SMILES
C1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=C(C=C3)Cl)/NC2=S
InChI
InChI=1S/C16H11ClN2OS/c17-12-8-6-11(7-9-12)10-14-15(20)19(16(21)18-14)13-4-2-1-3-5-13/h1-10H,(H,18,21)/b14-10-
InChIKey
NNTLJNZISPOILH-UVTDQMKNSA-N
Compound name
(5Z)-5-[(4-chlorophenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.02808 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.03536 171.6
[M+Na]+ 337.01730 186.7
[M+NH4]+ 332.06190 179.8
[M+K]+ 352.99124 177.5
[M-H]- 313.02080 176.1
[M+Na-2H]- 335.00275 179.2
[M]+ 314.02753 175.7
[M]- 314.02863 175.7
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.