CID 6480219

3-[(5z)-5-[(4-fluorophenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]-n-(4-nitrosulfonylphenyl)propanamide

Structural Information

Molecular Formula
C19H14FN3O6S3
SMILES
C1=CC(=CC=C1/C=C\2/C(=O)N(C(=S)S2)CCC(=O)NC3=CC=C(C=C3)S(=O)(=O)[N+](=O)[O-])F
InChI
InChI=1S/C19H14FN3O6S3/c20-13-3-1-12(2-4-13)11-16-18(25)22(19(30)31-16)10-9-17(24)21-14-5-7-15(8-6-14)32(28,29)23(26)27/h1-8,11H,9-10H2,(H,21,24)/b16-11-
InChIKey
RHVUXWYRBZZAJJ-WJDWOHSUSA-N
Compound name
3-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-nitrosulfonylphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

495.00287 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.01015 210.8
[M+Na]+ 517.99209 214.6
[M-H]- 493.99559 215.6
[M+NH4]+ 513.03669 216.4
[M+K]+ 533.96603 201.3
[M+H-H2O]+ 478.00013 206.2
[M+HCOO]- 540.00107 214.8
[M+CH3COO]- 554.01672 225.8
[M+Na-2H]- 515.97754 212.2
[M]+ 495.00232 207.2
[M]- 495.00342 207.2
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.