CID 6448364

3-(((4-nitrophenyl)amino)methyl)-5-(3-phenyl-2-propenylidene)-2-thioxo-4-thiazolidinone

Structural Information

Molecular Formula
C19H15N3O3S2
SMILES
C1=CC=C(C=C1)/C=C/C=C/2\C(=O)N(C(=S)S2)CNC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C19H15N3O3S2/c23-18-17(8-4-7-14-5-2-1-3-6-14)27-19(26)21(18)13-20-15-9-11-16(12-10-15)22(24)25/h1-12,20H,13H2/b7-4+,17-8+
InChIKey
IVJURMKOMRVAPI-AQHRCUNFSA-N
Compound name
(5E)-3-[(4-nitroanilino)methyl]-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.05548 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.06276 186.2
[M+Na]+ 420.04470 197.6
[M+NH4]+ 415.08930 192.8
[M+K]+ 436.01864 190.5
[M-H]- 396.04820 192.1
[M+Na-2H]- 418.03015 192.5
[M]+ 397.05493 190.0
[M]- 397.05603 190.0
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.