CID 5896957

Nsc659670

Structural Information

Molecular Formula
C15H11N3O5S2
SMILES
C1=CC(=CC(=C1)O)/C=C\2/C(=O)N(C(=S)S2)CC3C(=O)NC(=O)NC3=O
InChI
InChI=1S/C15H11N3O5S2/c19-8-3-1-2-7(4-8)5-10-13(22)18(15(24)25-10)6-9-11(20)16-14(23)17-12(9)21/h1-5,9,19H,6H2,(H2,16,17,20,21,23)/b10-5-
InChIKey
UAWVOAHBNQQEPO-YHYXMXQVSA-N
Compound name
5-[[(5Z)-5-[(3-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]methyl]-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.014 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.02128 184.9
[M+Na]+ 400.00322 193.0
[M-H]- 376.00672 186.6
[M+NH4]+ 395.04782 193.3
[M+K]+ 415.97716 183.9
[M+H-H2O]+ 360.01126 178.7
[M+HCOO]- 422.01220 187.4
[M+CH3COO]- 436.02785 206.5
[M+Na-2H]- 397.98867 178.2
[M]+ 377.01345 181.0
[M]- 377.01455 181.0
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.