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 171.7
[M+Na]+ 337.01730 182.2
[M-H]- 313.02080 178.2
[M+NH4]+ 332.06190 186.4
[M+K]+ 352.99124 173.1
[M+H-H2O]+ 297.02534 164.2
[M+HCOO]- 359.02628 181.9
[M+CH3COO]- 373.04193 182.6
[M+Na-2H]- 335.00275 169.5
[M]+ 314.02753 171.4
[M]- 314.02863 171.4
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.