CID 5467911

Nsc660015

Structural Information

Molecular Formula
C15H9N3O5S2
SMILES
C1=CC(=CC=C1/C=C\2/C(=O)N(C(=S)S2)C=C3C(=O)NC(=O)NC3=O)O
InChI
InChI=1S/C15H9N3O5S2/c19-8-3-1-7(2-4-8)5-10-13(22)18(15(24)25-10)6-9-11(20)16-14(23)17-12(9)21/h1-6,19H,(H2,16,17,20,21,23)/b10-5-
InChIKey
ROSDZFDGNGNCGS-YHYXMXQVSA-N
Compound name
5-[[(5Z)-5-[(4-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]methylidene]-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.99835 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.00563 185.1
[M+Na]+ 397.98757 193.6
[M-H]- 373.99107 186.9
[M+NH4]+ 393.03217 193.6
[M+K]+ 413.96151 183.9
[M+H-H2O]+ 357.99561 179.0
[M+HCOO]- 419.99655 187.8
[M+CH3COO]- 434.01220 205.3
[M+Na-2H]- 395.97302 178.3
[M]+ 374.99780 180.4
[M]- 374.99890 180.4
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.