CID 6434582

3-(2-nitrophenyl)-5-((3-nitrophenyl)methylene)-2-thioxo-4-imidazolidinone

Structural Information

Molecular Formula
C16H10N4O5S
SMILES
C1=CC=C(C(=C1)N2C(=O)/C(=C/C3=CC(=CC=C3)[N+](=O)[O-])/NC2=S)[N+](=O)[O-]
InChI
InChI=1S/C16H10N4O5S/c21-15-12(9-10-4-3-5-11(8-10)19(22)23)17-16(26)18(15)13-6-1-2-7-14(13)20(24)25/h1-9H,(H,17,26)/b12-9-
InChIKey
KBAPLZDOXQPIPP-XFXZXTDPSA-N
Compound name
(5Z)-3-(2-nitrophenyl)-5-[(3-nitrophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.0372 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.04448 181.6
[M+Na]+ 393.02642 194.2
[M+NH4]+ 388.07102 186.7
[M+K]+ 409.00036 193.4
[M-H]- 369.02992 186.7
[M+Na-2H]- 391.01187 186.7
[M]+ 370.03665 184.7
[M]- 370.03775 184.7
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.