CID 9575466

(2z,5z)-3-allyl-2-(1,3-benzothiazol-2-ylimino)-5-benzylidene-thiazolidin-4-one

Structural Information

Molecular Formula
C20H15N3OS2
SMILES
C=CCN\1C(=O)/C(=C/C2=CC=CC=C2)/S/C1=N\C3=NC4=CC=CC=C4S3
InChI
InChI=1S/C20H15N3OS2/c1-2-12-23-18(24)17(13-14-8-4-3-5-9-14)26-20(23)22-19-21-15-10-6-7-11-16(15)25-19/h2-11,13H,1,12H2/b17-13-,22-20-
InChIKey
RXTDFFXGMWSMIJ-PJICLEDRSA-N
Compound name
(2Z,5Z)-2-(1,3-benzothiazol-2-ylimino)-5-benzylidene-3-prop-2-enyl-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

377.06564 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.07292 189.6
[M+Na]+ 400.05486 201.3
[M-H]- 376.05836 199.9
[M+NH4]+ 395.09946 205.4
[M+K]+ 416.02880 192.9
[M+H-H2O]+ 360.06290 182.6
[M+HCOO]- 422.06384 204.5
[M+CH3COO]- 436.07949 200.8
[M+Na-2H]- 398.04031 187.2
[M]+ 377.06509 193.6
[M]- 377.06619 193.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.