CID 6434583

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

Structural Information

Molecular Formula
C16H10N4O5S
SMILES
C1=CC=C(C(=C1)N2C(=O)/C(=C/C3=CC=C(C=C3)[N+](=O)[O-])/NC2=S)[N+](=O)[O-]
InChI
InChI=1S/C16H10N4O5S/c21-15-12(9-10-5-7-11(8-6-10)19(22)23)17-16(26)18(15)13-3-1-2-4-14(13)20(24)25/h1-9H,(H,17,26)/b12-9-
InChIKey
PBUOZMHURYTITO-XFXZXTDPSA-N
Compound name
(5Z)-3-(2-nitrophenyl)-5-[(4-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 185.4
[M+Na]+ 393.02642 189.9
[M-H]- 369.02992 191.6
[M+NH4]+ 388.07102 193.6
[M+K]+ 409.00036 174.9
[M+H-H2O]+ 353.03446 184.9
[M+HCOO]- 415.03540 200.8
[M+CH3COO]- 429.05105 198.8
[M+Na-2H]- 391.01187 188.4
[M]+ 370.03665 178.6
[M]- 370.03775 178.6
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.