CID 2256492

5669-45-4

Structural Information

Molecular Formula
C16H11ClN2O4S2
SMILES
CCN1C(=O)/C(=C\C2=CC=C(O2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)/SC1=S
InChI
InChI=1S/C16H11ClN2O4S2/c1-2-18-15(20)14(25-16(18)24)8-10-4-6-13(23-10)11-5-3-9(19(21)22)7-12(11)17/h3-8H,2H2,1H3/b14-8+
InChIKey
BBTWWEAYMQBAIJ-RIYZIHGNSA-N
Compound name
(5E)-5-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.98486 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.99214 187.1
[M+Na]+ 416.97408 199.6
[M+NH4]+ 412.01868 194.1
[M+K]+ 432.94802 195.1
[M-H]- 392.97758 193.1
[M+Na-2H]- 414.95953 190.6
[M]+ 393.98431 191.5
[M]- 393.98541 191.5
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.