CID 6478122

5-[(3-hydroxy-4-nitrophenyl)methylene]-3-[(phenylsulfonyl)amino]-2-thioxo-1,3-thiazolidin-4-one

Structural Information

Molecular Formula
C16H11N3O6S3
SMILES
C1=CC=C(C=C1)S(=O)(=O)NN2C(=O)/C(=C\C3=CC(=C(C=C3)[N+](=O)[O-])O)/SC2=S
InChI
InChI=1S/C16H11N3O6S3/c20-13-8-10(6-7-12(13)19(22)23)9-14-15(21)18(16(26)27-14)17-28(24,25)11-4-2-1-3-5-11/h1-9,17,20H/b14-9+
InChIKey
BUMNQDSANOGNGN-NTEUORMPSA-N
Compound name
N-[(5E)-5-[(3-hydroxy-4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.981 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.98828 196.6
[M+Na]+ 459.97022 201.6
[M-H]- 435.97372 202.1
[M+NH4]+ 455.01482 204.1
[M+K]+ 475.94416 188.2
[M+H-H2O]+ 419.97826 193.6
[M+HCOO]- 481.97920 202.1
[M+CH3COO]- 495.99485 213.5
[M+Na-2H]- 457.95567 200.0
[M]+ 436.98045 192.6
[M]- 436.98155 192.6
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.