CID 1552028

Akos001596520

Structural Information

Molecular Formula
C16H11ClN2O3S3
SMILES
C1=CC=C(C=C1)S(=O)(=O)NN2C(=O)/C(=C\C3=CC=C(C=C3)Cl)/SC2=S
InChI
InChI=1S/C16H11ClN2O3S3/c17-12-8-6-11(7-9-12)10-14-15(20)19(16(23)24-14)18-25(21,22)13-4-2-1-3-5-13/h1-10,18H/b14-10+
InChIKey
YSSXKLSQJQVUIG-GXDHUFHOSA-N
Compound name
N-[(5E)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

409.96204 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.96932 193.7
[M+Na]+ 432.95126 203.5
[M-H]- 408.95476 201.5
[M+NH4]+ 427.99586 206.0
[M+K]+ 448.92520 193.3
[M+H-H2O]+ 392.95930 188.2
[M+HCOO]- 454.96024 196.1
[M+CH3COO]- 468.97589 202.5
[M+Na-2H]- 430.93671 192.7
[M]+ 409.96149 195.2
[M]- 409.96259 195.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.