CID 1732937

324565-26-6

Structural Information

Molecular Formula
C21H16N2O2S2
SMILES
C=CCN1C2=CC=CC=C2/C(=C/3\C(=O)N(C(=S)S3)CC4=CC=CC=C4)/C1=O
InChI
InChI=1S/C21H16N2O2S2/c1-2-12-22-16-11-7-6-10-15(16)17(19(22)24)18-20(25)23(21(26)27-18)13-14-8-4-3-5-9-14/h2-11H,1,12-13H2/b18-17-
InChIKey
YNRSVCXXYDQWLD-ZCXUNETKSA-N
Compound name
(5Z)-3-benzyl-5-(2-oxo-1-prop-2-enylindol-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.0653 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.07258 194.7
[M+Na]+ 415.05452 205.7
[M-H]- 391.05802 203.4
[M+NH4]+ 410.09912 209.6
[M+K]+ 431.02846 196.9
[M+H-H2O]+ 375.06256 188.7
[M+HCOO]- 437.06350 204.3
[M+CH3COO]- 451.07915 204.7
[M+Na-2H]- 413.03997 188.0
[M]+ 392.06475 196.8
[M]- 392.06585 196.8
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.