CID 6478082

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

Structural Information

Molecular Formula
C16H11N3O5S3
SMILES
C1=CC=C(C=C1)S(=O)(=O)NN2C(=O)/C(=C\C3=CC=C(C=C3)[N+](=O)[O-])/SC2=S
InChI
InChI=1S/C16H11N3O5S3/c20-15-14(10-11-6-8-12(9-7-11)19(21)22)26-16(25)18(15)17-27(23,24)13-4-2-1-3-5-13/h1-10,17H/b14-10+
InChIKey
CPIVYYNPYXNXNA-GXDHUFHOSA-N
Compound name
N-[(5E)-5-[(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

420.98608 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.99336 195.3
[M+Na]+ 443.97530 200.8
[M-H]- 419.97880 202.0
[M+NH4]+ 439.01990 204.1
[M+K]+ 459.94924 187.6
[M+H-H2O]+ 403.98334 191.9
[M+HCOO]- 465.98428 202.2
[M+CH3COO]- 479.99993 212.4
[M+Na-2H]- 441.96075 198.5
[M]+ 420.98553 191.4
[M]- 420.98663 191.4
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.