CID 6478086

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

Structural Information

Molecular Formula
C20H14N2O3S3
SMILES
C1=CC=C(C=C1)S(=O)(=O)NN2C(=O)/C(=C\C3=CC4=CC=CC=C4C=C3)/SC2=S
InChI
InChI=1S/C20H14N2O3S3/c23-19-18(13-14-10-11-15-6-4-5-7-16(15)12-14)27-20(26)22(19)21-28(24,25)17-8-2-1-3-9-17/h1-13,21H/b18-13+
InChIKey
SPLQRLRCFPYCMJ-QGOAFFKASA-N
Compound name
N-[(5E)-5-(naphthalen-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.01666 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.02394 198.8
[M+Na]+ 449.00588 208.1
[M-H]- 425.00938 206.5
[M+NH4]+ 444.05048 210.4
[M+K]+ 464.97982 198.2
[M+H-H2O]+ 409.01392 192.6
[M+HCOO]- 471.01486 204.5
[M+CH3COO]- 485.03051 207.0
[M+Na-2H]- 446.99133 200.4
[M]+ 426.01611 199.1
[M]- 426.01721 199.1
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.