CID 5934675

618076-42-9

Structural Information

Molecular Formula
C18H13NO3S2
SMILES
C1C(=CC2=CC=CC=C2O1)/C=C\3/C(=O)N(C(=S)S3)CC4=CC=CO4
InChI
InChI=1S/C18H13NO3S2/c20-17-16(24-18(23)19(17)10-14-5-3-7-21-14)9-12-8-13-4-1-2-6-15(13)22-11-12/h1-9H,10-11H2/b16-9-
InChIKey
ZZEUABJVJLPCDX-SXGWCWSVSA-N
Compound name
(5Z)-5-(2H-chromen-3-ylmethylidene)-3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.0337 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.04098 178.0
[M+Na]+ 378.02292 190.9
[M+NH4]+ 373.06752 186.7
[M+K]+ 393.99686 183.5
[M-H]- 354.02642 185.6
[M+Na-2H]- 376.00837 182.4
[M]+ 355.03315 183.0
[M]- 355.03425 183.0
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.