CID 6435317

Brn 0840911

Structural Information

Molecular Formula
C16H10ClN3O3S
SMILES
C1=CC=C(C(=C1)N2C(=O)/C(=C/C3=CC=C(C=C3)[N+](=O)[O-])/NC2=S)Cl
InChI
InChI=1S/C16H10ClN3O3S/c17-12-3-1-2-4-14(12)19-15(21)13(18-16(19)24)9-10-5-7-11(8-6-10)20(22)23/h1-9H,(H,18,24)/b13-9-
InChIKey
NVRMIABIJOMJIY-LCYFTJDESA-N
Compound name
(5Z)-3-(2-chlorophenyl)-5-[(4-nitrophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.01315 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.02043 177.6
[M+Na]+ 382.00237 192.2
[M+NH4]+ 377.04697 184.5
[M+K]+ 397.97631 187.0
[M-H]- 358.00587 182.6
[M+Na-2H]- 379.98782 184.1
[M]+ 359.01260 181.6
[M]- 359.01370 181.6
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.